2-methoxyheptadec-1-ene

C18H36O — CID 71417192

IUPAC2-methoxyheptadec-1-ene
SMILESC=C(CCCCCCCCCCCCCCC)OC
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-3/h2,4-17H2,1,3H3
InChIKeyBSSOYIZTWIYMAT-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.63
Rot. Bonds15

About 2-methoxyheptadec-1-ene

2-methoxyheptadec-1-ene (PubChem CID 71417192) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 2-methoxyheptadec-1-ene.

Molecular Properties

Compound Name2-methoxyheptadec-1-ene
PubChem CID71417192
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name2-methoxyheptadec-1-ene
SMILESC=C(CCCCCCCCCCCCCCC)OC
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-3/h2,4-17H2,1,3H3
InChIKeyBSSOYIZTWIYMAT-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.63
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-methoxyheptadec-1-ene?
The IUPAC name of 2-methoxyheptadec-1-ene (CID 71417192) is 2-methoxyheptadec-1-ene.
What is the SMILES notation for 2-methoxyheptadec-1-ene?
The canonical SMILES for 2-methoxyheptadec-1-ene is C=C(CCCCCCCCCCCCCCC)OC.
What is the InChIKey of 2-methoxyheptadec-1-ene?
The InChIKey is BSSOYIZTWIYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-3/h2,4-17H2,1,3H3.
What are the key properties of 2-methoxyheptadec-1-ene?
2-methoxyheptadec-1-ene has a molecular weight of 268.48 g/mol, XLogP of 6.63, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyheptadec-1-ene is sourced from PubChem (CID 71417192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).