CAS
94481-67-1 Purity
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94481-67-1 Purity
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![Methyl 7-[2-(5-cyclohexyl-4-fluoro-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoate](https://resource.alfa-chemistry.com/structure/94481-71-7.gif)
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(S)-3,7-Dimethyloct-7-enyl acetate
CAS
94481-73-9
Catalog Number
ACM94481739
Category
Other Products
Molecular Weight
198.301880 [g/mol]
Molecular Formula
C12H22O2
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Specification
Synonyms
(S)-3,7-Dimethyloct-7-enyl acetate, 94481-73-9, EINECS 305-400-1
IUPAC Name
[(3S)-3,7-dimethyloct-7-enyl] acetate
Canonical SMILES
CC(CCCC(=C)C)CCOC(=O)C
InChI Key
WNXJCQNXNOOMDJ-NSHDSACASA-N
EC Number
305-400-1
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of (S)-3,7-Dimethyloct-7-enyl acetate?
The molecular formula of (S)-3,7-Dimethyloct-7-enyl acetate is C12H22O2.
What is the molecular weight of (S)-3,7-Dimethyloct-7-enyl acetate?
The molecular weight of (S)-3,7-Dimethyloct-7-enyl acetate is 198.30 g/mol.
What is the IUPAC name of (S)-3,7-Dimethyloct-7-enyl acetate?
The IUPAC name of (S)-3,7-Dimethyloct-7-enyl acetate is [(3S)-3,7-dimethyloct-7-enyl] acetate.
What is the InChIKey of (S)-3,7-Dimethyloct-7-enyl acetate?
The InChIKey of (S)-3,7-Dimethyloct-7-enyl acetate is WNXJCQNXNOOMDJ-NSHDSACASA-N.
How many hydrogen bond donor counts are there in (S)-3,7-Dimethyloct-7-enyl acetate?
There are 0 hydrogen bond donor counts in (S)-3,7-Dimethyloct-7-enyl acetate.
What is the topological polar surface area of (S)-3,7-Dimethyloct-7-enyl acetate?
The topological polar surface area of (S)-3,7-Dimethyloct-7-enyl acetate is 26.3 Å2.
How many rotatable bond counts are there in (S)-3,7-Dimethyloct-7-enyl acetate?
There are 8 rotatable bond counts in (S)-3,7-Dimethyloct-7-enyl acetate.
Is (S)-3,7-Dimethyloct-7-enyl acetate considered a canonicalized compound?
Yes, (S)-3,7-Dimethyloct-7-enyl acetate is considered a canonicalized compound.
What is the exact mass of (S)-3,7-Dimethyloct-7-enyl acetate?
The exact mass of (S)-3,7-Dimethyloct-7-enyl acetate is 198.161979940 g/mol.
How many defined atom stereocenter counts are there in (S)-3,7-Dimethyloct-7-enyl acetate?
There is 1 defined atom stereocenter count in (S)-3,7-Dimethyloct-7-enyl acetate.
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CAS
94482-38-9 Purity
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94482-38-9 Purity
96%
