[(E)-hex-2-enyl] hexacosanoate

C32H62O2 — CID 102118773

IUPAC[(E)-hex-2-enyl] hexacosanoate
SMILESCCC/C=C/COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32(33)34-31-29-8-6-4-2/h8,29H,3-7,9-28,30-31H2,1-2H3/b29-8+
InChIKeyFVVVXTSTFGVZSK-JBQSXSRFSA-N
MW478.85 g/mol
LogP11.27
Rot. Bonds28

About [(E)-hex-2-enyl] hexacosanoate

[(E)-hex-2-enyl] hexacosanoate (PubChem CID 102118773) has the molecular formula C32H62O2 and a molecular weight of 478.85 g/mol. Its IUPAC name is [(E)-hex-2-enyl] hexacosanoate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] hexacosanoate
PubChem CID102118773
Molecular FormulaC32H62O2
Molecular Weight478.85 g/mol
Exact Mass478.47
IUPAC Name[(E)-hex-2-enyl] hexacosanoate
SMILESCCC/C=C/COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32(33)34-31-29-8-6-4-2/h8,29H,3-7,9-28,30-31H2,1-2H3/b29-8+
InChIKeyFVVVXTSTFGVZSK-JBQSXSRFSA-N
XLogP11.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 511.27
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

oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(Z)-non-2-enyl] decanoate
CID 88564768
bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid
CID 155235780
[(Z)-non-2-enyl] octanoate;octanoic acid
CID 175155639
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
[(E)-hept-3-enyl] pentacosanoate
CID 102118785
[(E)-dec-2-enyl] butanoate
CID 91749795
but-2-enyl octanoate
CID 141242223
[(E)-non-2-enyl] 4-bromobutanoate
CID 156692547

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl] hexacosanoate?
The IUPAC name of [(E)-hex-2-enyl] hexacosanoate (CID 102118773) is [(E)-hex-2-enyl] hexacosanoate.
What is the SMILES notation for [(E)-hex-2-enyl] hexacosanoate?
The canonical SMILES for [(E)-hex-2-enyl] hexacosanoate is CCC/C=C/COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of [(E)-hex-2-enyl] hexacosanoate?
The InChIKey is FVVVXTSTFGVZSK-JBQSXSRFSA-N. The full InChI is InChI=1S/C32H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32(33)34-31-29-8-6-4-2/h8,29H,3-7,9-28,30-31H2,1-2H3/b29-8+.
What are the key properties of [(E)-hex-2-enyl] hexacosanoate?
[(E)-hex-2-enyl] hexacosanoate has a molecular weight of 478.85 g/mol, XLogP of 11.27, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] hexacosanoate is sourced from PubChem (CID 102118773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).