CAS
94086-58-5 Purity
96%
94086-58-5 Purity
96%
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[s-(E)]-3,7-Dimethyl-6-octenyl 2-methyl-2-butenoate
CAS
94086-63-2
Catalog Number
ACM94086632
Category
Other Products
Molecular Weight
238.365740 [g/mol]
Molecular Formula
C15H26O2
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Specification
Synonyms
EINECS 301-851-3, ZINC20231212, (S-(E))-3,7-Dimethyl-6-octenyl 2-methyl-2-butenoate, 94086-63-2
IUPAC Name
[(3S)-3,7-dimethyloct-6-enyl] (E)-2-methylbut-2-enoate
Canonical SMILES
CC=C(C)C(=O)OCCC(C)CCC=C(C)C
InChI Key
UCFQYMKLDPWFHZ-VYAXBHEWSA-N
EC Number
301-851-3
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 25021440?
The molecular formula is C15H26O2.
What is the molecular weight of the compound?
The molecular weight is 238.37 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [(3S)-3,7-dimethyloct-6-enyl] (E)-2-methylbut-2-enoate.
What is the InChIKey of the compound?
The InChIKey is UCFQYMKLDPWFHZ-VYAXBHEWSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 5.
What is the topological polar surface area of the compound?
The topological polar surface area is 26.3 Å^2.
How many defined atom stereocenter counts does the compound have?
The compound has 1 defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound last modified on PubChem?
The compound was last modified on December 30, 2023.
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