1-methoxyoctadec-9-ene

C19H38O — CID 551192

IUPAC1-methoxyoctadec-9-ene
SMILESCCCCCCCCC=CCCCCCCCCOC
InChIInChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11H,3-9,12-19H2,1-2H3
InChIKeyIDBPDXGUJPANFU-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.67
Rot. Bonds16

About 1-methoxyoctadec-9-ene

1-methoxyoctadec-9-ene (PubChem CID 551192) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 1-methoxyoctadec-9-ene.

Molecular Properties

Compound Name1-methoxyoctadec-9-ene
PubChem CID551192
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name1-methoxyoctadec-9-ene
SMILESCCCCCCCCC=CCCCCCCCCOC
InChIInChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11H,3-9,12-19H2,1-2H3
InChIKeyIDBPDXGUJPANFU-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methoxyoctadec-9-ene?
The IUPAC name of 1-methoxyoctadec-9-ene (CID 551192) is 1-methoxyoctadec-9-ene.
What is the SMILES notation for 1-methoxyoctadec-9-ene?
The canonical SMILES for 1-methoxyoctadec-9-ene is CCCCCCCCC=CCCCCCCCCOC.
What is the InChIKey of 1-methoxyoctadec-9-ene?
The InChIKey is IDBPDXGUJPANFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11H,3-9,12-19H2,1-2H3.
What are the key properties of 1-methoxyoctadec-9-ene?
1-methoxyoctadec-9-ene has a molecular weight of 282.51 g/mol, XLogP of 6.67, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyoctadec-9-ene is sourced from PubChem (CID 551192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).