CAS
93857-83-1 Purity
96%
93857-83-1 Purity
96%
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3,7-Dimethyloctyl valerate
CAS
93857-93-3
Catalog Number
ACM93857933
Category
Other Products
Molecular Weight
242.397500 [g/mol]
Molecular Formula
C15H30O2
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Specification
Synonyms
3,7-Dimethyloctyl valerate, EINECS 299-227-8, CID3022687, 93857-93-3
IUPAC Name
3,7-dimethyloctyl pentanoate
SMILES
CCCCC(=O)OCCC(C)CCCC(C)C
InChI Key
LMPYVHIIYCATHK-UHFFFAOYSA-N
Boiling Point
272.5ºC at 760mmHg
Flash Point
126.6ºC
Density
0.864g/cm³
EC Number
299-227-8
Exact Mass
242.22500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,7-Dimethyloctyl valerate?
The molecular formula is C15H30O2.
What is the molecular weight of 3,7-Dimethyloctyl valerate?
The molecular weight is 242.40 g/mol.
What is the IUPAC name of 3,7-Dimethyloctyl valerate?
The IUPAC name is 3,7-dimethyloctyl pentanoate.
What is the Canonical SMILES of 3,7-Dimethyloctyl valerate?
The Canonical SMILES is CCCCC(=O)OCCC(C)CCCC(C)C.
What is the InChIKey of 3,7-Dimethyloctyl valerate?
The InChIKey is LMPYVHIIYCATHK-UHFFFAOYSA-N.
What is the CAS number of 3,7-Dimethyloctyl valerate?
The CAS number is 93857-93-3.
How many hydrogen bond acceptors are there in 3,7-Dimethyloctyl valerate?
There are 2 hydrogen bond acceptors.
What is the topological polar surface area of 3,7-Dimethyloctyl valerate?
The topological polar surface area is 26.3 Å2.
How many rotatable bond counts are there in 3,7-Dimethyloctyl valerate?
There are 11 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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