[(Z)-hept-4-en-2-yl] butanoate

C11H20O2 — CID 5352817

IUPAC[(Z)-hept-4-en-2-yl] butanoate
SMILESCC/C=C\CC(C)OC(=O)CCC
InChIInChI=1S/C11H20O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyWIBPCRFLIFYVAN-SREVYHEPSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds6

About [(Z)-hept-4-en-2-yl] butanoate

[(Z)-hept-4-en-2-yl] butanoate (PubChem CID 5352817) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(Z)-hept-4-en-2-yl] butanoate.

Molecular Properties

Compound Name[(Z)-hept-4-en-2-yl] butanoate
PubChem CID5352817
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(Z)-hept-4-en-2-yl] butanoate
SMILESCC/C=C\CC(C)OC(=O)CCC
InChIInChI=1S/C11H20O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyWIBPCRFLIFYVAN-SREVYHEPSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-hept-4-en-2-yl] butanoate?
The IUPAC name of [(Z)-hept-4-en-2-yl] butanoate (CID 5352817) is [(Z)-hept-4-en-2-yl] butanoate.
What is the SMILES notation for [(Z)-hept-4-en-2-yl] butanoate?
The canonical SMILES for [(Z)-hept-4-en-2-yl] butanoate is CC/C=C\CC(C)OC(=O)CCC.
What is the InChIKey of [(Z)-hept-4-en-2-yl] butanoate?
The InChIKey is WIBPCRFLIFYVAN-SREVYHEPSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-.
What are the key properties of [(Z)-hept-4-en-2-yl] butanoate?
[(Z)-hept-4-en-2-yl] butanoate has a molecular weight of 184.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hept-4-en-2-yl] butanoate is sourced from PubChem (CID 5352817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).