octadec-1-ene

C18H36 — CID 8217

IUPACoctadec-1-ene
SMILESC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
InChIKeyCCCMONHAUSKTEQ-UHFFFAOYSA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds15

About octadec-1-ene

octadec-1-ene (PubChem CID 8217) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is octadec-1-ene.

Molecular Properties

Compound Nameoctadec-1-ene
PubChem CID8217
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Nameoctadec-1-ene
SMILESC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
InChIKeyCCCMONHAUSKTEQ-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Octene
CID 8125
1-Dodecene
CID 8183
(Z)-9-Tricosene
CID 5365075
1-Nonene
CID 31285
1-Tridecene
CID 17095
1-Decene
CID 13381
1-Hexadecene
CID 12395
1-Tetradecene
CID 14260
1-Undecene
CID 13190
1-Pentadecene
CID 25913
1,9-Decadiene
CID 15439
1-Heptadecene
CID 23217

Frequently Asked Questions

What is the IUPAC name of octadec-1-ene?
The IUPAC name of octadec-1-ene (CID 8217) is octadec-1-ene.
What is the SMILES notation for octadec-1-ene?
The canonical SMILES for octadec-1-ene is C=CCCCCCCCCCCCCCCCC.
What is the InChIKey of octadec-1-ene?
The InChIKey is CCCMONHAUSKTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3.
What are the key properties of octadec-1-ene?
octadec-1-ene has a molecular weight of 252.49 g/mol, XLogP of 7.04, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-1-ene is sourced from PubChem (CID 8217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).