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Structure

trans-2-Hexenyl 2-methyl butyrate

CAS
94089-01-7
Catalog Number
ACM94089017
Category
Other Products
Molecular Weight
184.275300 [g/mol]
Molecular Formula
C11H20O2

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Specification

Synonyms
TRANS-2-HEXENYL 2-METHYLBUTYRATE, 94089-01-7, (E)-Hex-2-enyl 2-methylbutyrate, CTK5H4921, AG-H-86776
IUPAC Name
hex-2-enyl 2-methylbutanoate
InChI Key
SXJKRFLZGRFPBD-UHFFFAOYSA-N
Boiling Point
231.5ºC at 760mmHg
Flash Point
79.4ºC
Density
0.887g/cm³
Exact Mass
184.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of trans-2-Hexenyl 2-methyl butyrate?

The molecular formula of trans-2-Hexenyl 2-methyl butyrate is C11H20O2.

What is the molecular weight of trans-2-Hexenyl 2-methyl butyrate?

The molecular weight of trans-2-Hexenyl 2-methyl butyrate is 184.27 g/mol.

What is the IUPAC Name of trans-2-Hexenyl 2-methyl butyrate?

The IUPAC Name of trans-2-Hexenyl 2-methyl butyrate is [(E)-hex-2-enyl] 2-methylbutanoate.

What is the InChIKey of trans-2-Hexenyl 2-methyl butyrate?

The InChIKey of trans-2-Hexenyl 2-methyl butyrate is SXJKRFLZGRFPBD-BQYQJAHWSA-N.

What is the Canonical SMILES of trans-2-Hexenyl 2-methyl butyrate?

The Canonical SMILES of trans-2-Hexenyl 2-methyl butyrate is CCCC=CCOC(=O)C(C)CC.

What is the CAS number of trans-2-Hexenyl 2-methyl butyrate?

The CAS number of trans-2-Hexenyl 2-methyl butyrate is 94089-01-7.

What is the XLogP3-AA value of trans-2-Hexenyl 2-methyl butyrate?

The XLogP3-AA value of trans-2-Hexenyl 2-methyl butyrate is 3.4.

How many hydrogen bond acceptors does trans-2-Hexenyl 2-methyl butyrate have?

Trans-2-Hexenyl 2-methyl butyrate has 2 hydrogen bond acceptors.

How many rotatable bonds does trans-2-Hexenyl 2-methyl butyrate have?

Trans-2-Hexenyl 2-methyl butyrate has 7 rotatable bonds.

What is the topological polar surface area of trans-2-Hexenyl 2-methyl butyrate?

The topological polar surface area of trans-2-Hexenyl 2-methyl butyrate is 26.3 Å2.

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