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

C11H20O2 — CID 5367681

IUPAC[(Z)-hex-3-enyl] 3-methylbutanoate
SMILESCC/C=C\CCOC(=O)CC(C)C
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
InChIKeyAIQLNKITFBJPFO-WAYWQWQTSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds6

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

[(Z)-hex-3-enyl] 3-methylbutanoate (PubChem CID 5367681) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 3-methylbutanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 3-methylbutanoate
PubChem CID5367681
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(Z)-hex-3-enyl] 3-methylbutanoate
SMILESCC/C=C\CCOC(=O)CC(C)C
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
InChIKeyAIQLNKITFBJPFO-WAYWQWQTSA-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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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 3-methylbutanoate?
The IUPAC name of [(Z)-hex-3-enyl] 3-methylbutanoate (CID 5367681) is [(Z)-hex-3-enyl] 3-methylbutanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 3-methylbutanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 3-methylbutanoate is CC/C=C\CCOC(=O)CC(C)C.
What is the InChIKey of [(Z)-hex-3-enyl] 3-methylbutanoate?
The InChIKey is AIQLNKITFBJPFO-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-.
What are the key properties of [(Z)-hex-3-enyl] 3-methylbutanoate?
[(Z)-hex-3-enyl] 3-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] 3-methylbutanoate is sourced from PubChem (CID 5367681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).