CAS
94265-92-6 Purity
96%
94265-92-6 Purity
96%
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(R)-1,5-Dimethyl-1-vinylhex-4-enyl propionate
CAS
94265-97-1
Catalog Number
ACM94265971
Category
Other Products
Molecular Weight
210.312580 [g/mol]
Molecular Formula
C13H22O2
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Specification
Synonyms
(R)-1,5-Dimethyl-1-vinylhex-4-enyl propionate, 94265-97-1, AC1LT45B, CTK5H6141, EINECS 304-403-5, ZINC01677809, AG-H-89000, [(3R)-3,7-dimethylocta-1,6-dien-3-yl] propanoate
IUPAC Name
[(3R)-3,7-dimethylocta-1,6-dien-3-yl] propanoate
Canonical SMILES
CCC(=O)OC(C)(CCC=C(C)C)C=C
InChI Key
WAQIIHCCEMGYKP-ZDUSSCGKSA-N
Boiling Point
247ºC at 760mmHg
Flash Point
73.4ºC
Density
0.894g/cm³
EC Number
304-403-5
Exact Mass
210.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound (R)-1,5-Dimethyl-1-vinylhex-4-enyl propionate?
The molecular formula is C13H22O2.
When was the compound first created and when was it last modified according to the reference?
The compound was first created on July 11, 2005, and last modified on December 30, 2023.
What is the IUPAC name for (R)-1,5-Dimethyl-1-vinylhex-4-enyl propionate?
The IUPAC name is [(3R)-3,7-dimethylocta-1,6-dien-3-yl] propanoate.
What is the InChIKey for the compound (R)-1,5-Dimethyl-1-vinylhex-4-enyl propionate?
The InChIKey is WAQIIHCCEMGYKP-ZDUSSCGKSA-N.
How many hydrogen bond acceptor counts are there in the compound?
There are 2 hydrogen bond acceptor counts.
What is the topological polar surface area of (R)-1,5-Dimethyl-1-vinylhex-4-enyl propionate?
The topological polar surface area is 26.3 Å2.
How many rotatable bond counts are there in the compound?
There are 7 rotatable bond counts.
What is the exact mass of the compound (R)-1,5-Dimethyl-1-vinylhex-4-enyl propionate?
The exact mass is 210.161979940 g/mol.
How many defined atom stereocenter counts are present in the compound?
There is 1 defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
94265-96-0 Purity
96%
94265-96-0 Purity
96%
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