2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane

C18H34O2 — CID 87533114

IUPAC2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane
SMILESCCCCCC1OC1C/C=C\CCCCCCCOC
InChIInChI=1S/C18H34O2/c1-3-4-11-14-17-18(20-17)15-12-9-7-5-6-8-10-13-16-19-2/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3/b12-9-
InChIKeyVWJBBMCHDHXHCO-XFXZXTDPSA-N
MW282.47 g/mol
LogP5.27
Rot. Bonds14

About 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane

2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane (PubChem CID 87533114) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane.

Molecular Properties

Compound Name2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane
PubChem CID87533114
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane
SMILESCCCCCC1OC1C/C=C\CCCCCCCOC
InChIInChI=1S/C18H34O2/c1-3-4-11-14-17-18(20-17)15-12-9-7-5-6-8-10-13-16-19-2/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3/b12-9-
InChIKeyVWJBBMCHDHXHCO-XFXZXTDPSA-N
XLogP5.27
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.27
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane?
The IUPAC name of 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane (CID 87533114) is 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane.
What is the SMILES notation for 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane?
The canonical SMILES for 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane is CCCCCC1OC1C/C=C\CCCCCCCOC.
What is the InChIKey of 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane?
The InChIKey is VWJBBMCHDHXHCO-XFXZXTDPSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-11-14-17-18(20-17)15-12-9-7-5-6-8-10-13-16-19-2/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3/b12-9-.
What are the key properties of 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane?
2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane has a molecular weight of 282.47 g/mol, XLogP of 5.27, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane is sourced from PubChem (CID 87533114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).