2-methoxyoctadec-1-ene

C19H38O — CID 156628777

IUPAC2-methoxyoctadec-1-ene
SMILESC=C(CCCCCCCCCCCCCCCC)OC
InChIInChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20-3/h2,4-18H2,1,3H3
InChIKeyLGTDKBLDRBTSHQ-UHFFFAOYSA-N
MW282.51 g/mol
LogP7.02
Rot. Bonds16

About 2-methoxyoctadec-1-ene

2-methoxyoctadec-1-ene (PubChem CID 156628777) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 2-methoxyoctadec-1-ene.

Molecular Properties

Compound Name2-methoxyoctadec-1-ene
PubChem CID156628777
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name2-methoxyoctadec-1-ene
SMILESC=C(CCCCCCCCCCCCCCCC)OC
InChIInChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20-3/h2,4-18H2,1,3H3
InChIKeyLGTDKBLDRBTSHQ-UHFFFAOYSA-N
XLogP7.02
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 ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyoctadec-1-ene?
The IUPAC name of 2-methoxyoctadec-1-ene (CID 156628777) is 2-methoxyoctadec-1-ene.
What is the SMILES notation for 2-methoxyoctadec-1-ene?
The canonical SMILES for 2-methoxyoctadec-1-ene is C=C(CCCCCCCCCCCCCCCC)OC.
What is the InChIKey of 2-methoxyoctadec-1-ene?
The InChIKey is LGTDKBLDRBTSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20-3/h2,4-18H2,1,3H3.
What are the key properties of 2-methoxyoctadec-1-ene?
2-methoxyoctadec-1-ene has a molecular weight of 282.51 g/mol, XLogP of 7.02, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyoctadec-1-ene is sourced from PubChem (CID 156628777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).