CAS
94021-95-1 Purity
96%
94021-95-1 Purity
96%
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(S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate
CAS
94022-03-4
Catalog Number
ACM94022034
Category
Other Products
Molecular Weight
238.365740 [g/mol]
Molecular Formula
C15H26O2
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Specification
Synonyms
EINECS 301-495-9, (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate, 94022-03-4
IUPAC Name
[(3S)-3,7-dimethyloct-6-enyl] 3-methylbut-2-enoate
Canonical SMILES
CC(CCC=C(C)C)CCOC(=O)C=C(C)C
InChI Key
DCEUMOZSMAUPSP-AWEZNQCLSA-N
EC Number
301-495-9
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate?
The molecular formula is C15H26O2.
When was the structure of (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate created and last modified?
The structure was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate?
The IUPAC name is [(3S)-3,7-dimethyloct-6-enyl] 3-methylbut-2-enoate.
What is the InChIKey of (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate?
The InChIKey is DCEUMOZSMAUPSP-AWEZNQCLSA-N.
How many hydrogen bond donor counts does (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate have?
It has 0 hydrogen bond donor count.
What is the topological polar surface area of (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate?
The topological polar surface area is 26.3?2.
How many defined atom stereocenter counts does (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate have?
It has 1 defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity value of (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate?
The complexity value is 279.
How many rotatable bond counts does (S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate have?
It has 8 rotatable bond counts.
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