tetradecyl (Z)-octadec-9-enoate

C32H62O2 — CID 5365034

IUPACtetradecyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18H,3-16,19-31H2,1-2H3/b18-17-
InChIKeyDHZWALZKPWZSMA-ZCXUNETKSA-N
MW478.85 g/mol
LogP11.27
Rot. Bonds28

About tetradecyl (Z)-octadec-9-enoate

tetradecyl (Z)-octadec-9-enoate (PubChem CID 5365034) has the molecular formula C32H62O2 and a molecular weight of 478.85 g/mol. Its IUPAC name is tetradecyl (Z)-octadec-9-enoate.

Molecular Properties

Compound Nametetradecyl (Z)-octadec-9-enoate
PubChem CID5365034
Molecular FormulaC32H62O2
Molecular Weight478.85 g/mol
Exact Mass478.47
IUPAC Nametetradecyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18H,3-16,19-31H2,1-2H3/b18-17-
InChIKeyDHZWALZKPWZSMA-ZCXUNETKSA-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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Frequently Asked Questions

What is the IUPAC name of tetradecyl (Z)-octadec-9-enoate?
The IUPAC name of tetradecyl (Z)-octadec-9-enoate (CID 5365034) is tetradecyl (Z)-octadec-9-enoate.
What is the SMILES notation for tetradecyl (Z)-octadec-9-enoate?
The canonical SMILES for tetradecyl (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl (Z)-octadec-9-enoate?
The InChIKey is DHZWALZKPWZSMA-ZCXUNETKSA-N. The full InChI is InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18H,3-16,19-31H2,1-2H3/b18-17-.
What are the key properties of tetradecyl (Z)-octadec-9-enoate?
tetradecyl (Z)-octadec-9-enoate 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 tetradecyl (Z)-octadec-9-enoate is sourced from PubChem (CID 5365034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).