hexadec-1-ene

C16H32 — CID 12395

IUPAChexadec-1-ene
SMILESC=CCCCCCCCCCCCCCC
InChIInChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
InChIKeyGQEZCXVZFLOKMC-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.26
Rot. Bonds13

About hexadec-1-ene

hexadec-1-ene (PubChem CID 12395) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is hexadec-1-ene.

Molecular Properties

Compound Namehexadec-1-ene
PubChem CID12395
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Namehexadec-1-ene
SMILESC=CCCCCCCCCCCCCCC
InChIInChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
InChIKeyGQEZCXVZFLOKMC-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.26
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-Tetradecene
CID 14260
1-Octadecene
CID 8217
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 hexadec-1-ene?
The IUPAC name of hexadec-1-ene (CID 12395) is hexadec-1-ene.
What is the SMILES notation for hexadec-1-ene?
The canonical SMILES for hexadec-1-ene is C=CCCCCCCCCCCCCCC.
What is the InChIKey of hexadec-1-ene?
The InChIKey is GQEZCXVZFLOKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3.
What are the key properties of hexadec-1-ene?
hexadec-1-ene has a molecular weight of 224.43 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-1-ene is sourced from PubChem (CID 12395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).