10-ethenyltetradecyl acetate

C18H34O2 — CID 18790892

IUPAC10-ethenyltetradecyl acetate
SMILESC=CC(CCCC)CCCCCCCCCOC(C)=O
InChIInChI=1S/C18H34O2/c1-4-6-14-18(5-2)15-12-10-8-7-9-11-13-16-20-17(3)19/h5,18H,2,4,6-16H2,1,3H3
InChIKeyCRXQABFZABYFGR-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.66
Rot. Bonds14

About 10-ethenyltetradecyl acetate

10-ethenyltetradecyl acetate (PubChem CID 18790892) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 10-ethenyltetradecyl acetate.

Molecular Properties

Compound Name10-ethenyltetradecyl acetate
PubChem CID18790892
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name10-ethenyltetradecyl acetate
SMILESC=CC(CCCC)CCCCCCCCCOC(C)=O
InChIInChI=1S/C18H34O2/c1-4-6-14-18(5-2)15-12-10-8-7-9-11-13-16-20-17(3)19/h5,18H,2,4,6-16H2,1,3H3
InChIKeyCRXQABFZABYFGR-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.66
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 10-ethenyltetradecyl acetate?
The IUPAC name of 10-ethenyltetradecyl acetate (CID 18790892) is 10-ethenyltetradecyl acetate.
What is the SMILES notation for 10-ethenyltetradecyl acetate?
The canonical SMILES for 10-ethenyltetradecyl acetate is C=CC(CCCC)CCCCCCCCCOC(C)=O.
What is the InChIKey of 10-ethenyltetradecyl acetate?
The InChIKey is CRXQABFZABYFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-6-14-18(5-2)15-12-10-8-7-9-11-13-16-20-17(3)19/h5,18H,2,4,6-16H2,1,3H3.
What are the key properties of 10-ethenyltetradecyl acetate?
10-ethenyltetradecyl acetate has a molecular weight of 282.47 g/mol, XLogP of 5.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyltetradecyl acetate is sourced from PubChem (CID 18790892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).