[(Z)-dec-5-enyl] 3-methylbutanoate

C15H28O2 — CID 15693827

IUPAC[(Z)-dec-5-enyl] 3-methylbutanoate
SMILESCCCC/C=C\CCCCOC(=O)CC(C)C
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7-
InChIKeyLATMVBFTWADBDD-FPLPWBNLSA-N
MW240.39 g/mol
LogP4.49
Rot. Bonds10

About [(Z)-dec-5-enyl] 3-methylbutanoate

[(Z)-dec-5-enyl] 3-methylbutanoate (PubChem CID 15693827) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(Z)-dec-5-enyl] 3-methylbutanoate.

Molecular Properties

Compound Name[(Z)-dec-5-enyl] 3-methylbutanoate
PubChem CID15693827
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(Z)-dec-5-enyl] 3-methylbutanoate
SMILESCCCC/C=C\CCCCOC(=O)CC(C)C
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7-
InChIKeyLATMVBFTWADBDD-FPLPWBNLSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.49
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)-dec-5-enyl] 3-methylbutanoate?
The IUPAC name of [(Z)-dec-5-enyl] 3-methylbutanoate (CID 15693827) is [(Z)-dec-5-enyl] 3-methylbutanoate.
What is the SMILES notation for [(Z)-dec-5-enyl] 3-methylbutanoate?
The canonical SMILES for [(Z)-dec-5-enyl] 3-methylbutanoate is CCCC/C=C\CCCCOC(=O)CC(C)C.
What is the InChIKey of [(Z)-dec-5-enyl] 3-methylbutanoate?
The InChIKey is LATMVBFTWADBDD-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7-.
What are the key properties of [(Z)-dec-5-enyl] 3-methylbutanoate?
[(Z)-dec-5-enyl] 3-methylbutanoate has a molecular weight of 240.39 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-dec-5-enyl] 3-methylbutanoate is sourced from PubChem (CID 15693827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).