[(E)-pent-3-en-2-yl] hexanoate

C11H20O2 — CID 91695015

IUPAC[(E)-pent-3-en-2-yl] hexanoate
SMILESC/C=C/C(C)OC(=O)CCCCC
InChIInChI=1S/C11H20O2/c1-4-6-7-9-11(12)13-10(3)8-5-2/h5,8,10H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyFZHAUYVDIMRFJZ-VMPITWQZSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds6

About [(E)-pent-3-en-2-yl] hexanoate

[(E)-pent-3-en-2-yl] hexanoate (PubChem CID 91695015) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-pent-3-en-2-yl] hexanoate.

Molecular Properties

Compound Name[(E)-pent-3-en-2-yl] hexanoate
PubChem CID91695015
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(E)-pent-3-en-2-yl] hexanoate
SMILESC/C=C/C(C)OC(=O)CCCCC
InChIInChI=1S/C11H20O2/c1-4-6-7-9-11(12)13-10(3)8-5-2/h5,8,10H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyFZHAUYVDIMRFJZ-VMPITWQZSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Hexenyl hexanoate, (3Z)-
CID 5352543
2-Hexenyl hexanoate, (2E)-
CID 5352973
pent-2-Enyl hexanoate, (2Z)-
CID 5363141
2-Hexenyl octanoate, (E)-
CID 5365136
3-Hexenyl hexanoate, (3E)-
CID 5352975
Geranyl hexanoate
CID 5365992
2-Octen-1-yl butyrate, (2E)-
CID 5362591
2-Hexenyl pentanoate, (2E)-
CID 5352974
Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
CID 12571389
5-Hydroxyeicosatetraenoic acid lactone
CID 6439592
Japonilure
CID 6435920
Hex-2-enyl hexanoate
CID 92572

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-3-en-2-yl] hexanoate?
The IUPAC name of [(E)-pent-3-en-2-yl] hexanoate (CID 91695015) is [(E)-pent-3-en-2-yl] hexanoate.
What is the SMILES notation for [(E)-pent-3-en-2-yl] hexanoate?
The canonical SMILES for [(E)-pent-3-en-2-yl] hexanoate is C/C=C/C(C)OC(=O)CCCCC.
What is the InChIKey of [(E)-pent-3-en-2-yl] hexanoate?
The InChIKey is FZHAUYVDIMRFJZ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-9-11(12)13-10(3)8-5-2/h5,8,10H,4,6-7,9H2,1-3H3/b8-5+.
What are the key properties of [(E)-pent-3-en-2-yl] hexanoate?
[(E)-pent-3-en-2-yl] hexanoate 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 [(E)-pent-3-en-2-yl] hexanoate is sourced from PubChem (CID 91695015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).