(S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate

CAS
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Purity
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CAS
94022-03-4
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94022034

Product Name

(S)-3,7-Dimethyl-6-octenyl 3-methyl-2-butenoate

Structure

Structure

CAS

94022-03-4

Category

Heterocyclic Organic Compound

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

Molecular Weight

238.365740 [g/mol]

Molecular Formula

C₁₅H₂₆O₂

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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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