[(Z)-hex-3-enyl] (2R)-2-methylbutanoate

C11H20O2 — CID 14564585

IUPAC[(Z)-hex-3-enyl] (2R)-2-methylbutanoate
SMILESCC/C=C\CCOC(=O)[C@H](C)CC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-/t10-/m1/s1
InChIKeyJKKGTSUICJWEKB-JYESYGNLSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds6

About [(Z)-hex-3-enyl] (2R)-2-methylbutanoate

[(Z)-hex-3-enyl] (2R)-2-methylbutanoate (PubChem CID 14564585) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] (2R)-2-methylbutanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] (2R)-2-methylbutanoate
PubChem CID14564585
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(Z)-hex-3-enyl] (2R)-2-methylbutanoate
SMILESCC/C=C\CCOC(=O)[C@H](C)CC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-/t10-/m1/s1
InChIKeyJKKGTSUICJWEKB-JYESYGNLSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-3-Hexenyl propionate
CID 5365049
Hexenyl isobutanoate, (3Z)-
CID 5352539
cis-3-Hexenyl butanoate
CID 5352438
3-Hexenyl 2-methylbutyrate, (3Z)-
CID 5365069
3-Hexenyl isovalerate, (3Z)-
CID 5367681
Hexenyl valerate, (3Z)-
CID 5367682
Ethyl cis-4-heptenoate
CID 15824502
Ethyl 3-hexenoate
CID 5362622
3-Hexenyl 2-methylbutyrate
CID 61467
Ethyl 3-hexenoate, (3Z)-
CID 5362623
Butanoic acid, 3-methyl-, 3-hexenyl ester
CID 37065
Ethyl 2-methyl-4-pentenoate
CID 62024

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] (2R)-2-methylbutanoate?
The IUPAC name of [(Z)-hex-3-enyl] (2R)-2-methylbutanoate (CID 14564585) is [(Z)-hex-3-enyl] (2R)-2-methylbutanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] (2R)-2-methylbutanoate?
The canonical SMILES for [(Z)-hex-3-enyl] (2R)-2-methylbutanoate is CC/C=C\CCOC(=O)[C@H](C)CC.
What is the InChIKey of [(Z)-hex-3-enyl] (2R)-2-methylbutanoate?
The InChIKey is JKKGTSUICJWEKB-JYESYGNLSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-/t10-/m1/s1.
What are the key properties of [(Z)-hex-3-enyl] (2R)-2-methylbutanoate?
[(Z)-hex-3-enyl] (2R)-2-methylbutanoate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] (2R)-2-methylbutanoate is sourced from PubChem (CID 14564585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).