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

C14H26O2 — CID 5353149

IUPAC[(E)-oct-3-en-2-yl] hexanoate
SMILESCCCC/C=C/C(C)OC(=O)CCCCC
InChIInChI=1S/C14H26O2/c1-4-6-8-10-11-13(3)16-14(15)12-9-7-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+
InChIKeyFCIRXSXAXUSWOF-ZHACJKMWSA-N
MW226.36 g/mol
LogP4.24
Rot. Bonds9

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

[(E)-oct-3-en-2-yl] hexanoate (PubChem CID 5353149) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [(E)-oct-3-en-2-yl] hexanoate.

Molecular Properties

Compound Name[(E)-oct-3-en-2-yl] hexanoate
PubChem CID5353149
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[(E)-oct-3-en-2-yl] hexanoate
SMILESCCCC/C=C/C(C)OC(=O)CCCCC
InChIInChI=1S/C14H26O2/c1-4-6-8-10-11-13(3)16-14(15)12-9-7-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+
InChIKeyFCIRXSXAXUSWOF-ZHACJKMWSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.24
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

2-Hexenyl hexanoate, (2E)-
CID 5352973
1-Octen-3-yl butyrate
CID 27892
pent-2-Enyl hexanoate, (2Z)-
CID 5363141
2-Hexenyl octanoate, (E)-
CID 5365136
Geranyl hexanoate
CID 5365992
cis-6-Dodecen-4-olide
CID 5352428
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
6,9-Dodecadien-4-olide, (6Z,9Z)-
CID 12980879
5-Hydroxyeicosatetraenoic acid lactone
CID 6439592
Japonilure
CID 6435920

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-3-en-2-yl] hexanoate?
The IUPAC name of [(E)-oct-3-en-2-yl] hexanoate (CID 5353149) is [(E)-oct-3-en-2-yl] hexanoate.
What is the SMILES notation for [(E)-oct-3-en-2-yl] hexanoate?
The canonical SMILES for [(E)-oct-3-en-2-yl] hexanoate is CCCC/C=C/C(C)OC(=O)CCCCC.
What is the InChIKey of [(E)-oct-3-en-2-yl] hexanoate?
The InChIKey is FCIRXSXAXUSWOF-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-8-10-11-13(3)16-14(15)12-9-7-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+.
What are the key properties of [(E)-oct-3-en-2-yl] hexanoate?
[(E)-oct-3-en-2-yl] hexanoate has a molecular weight of 226.36 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-3-en-2-yl] hexanoate is sourced from PubChem (CID 5353149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).