hexadec-6-ene;hex-1-ene

C22H44 — CID 158850904

IUPAChexadec-6-ene;hex-1-ene
SMILESC=CCCCC.CCCCCC=CCCCCCCCCC
InChIInChI=1S/C16H32.C6H12/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-6-4-2/h11,13H,3-10,12,14-16H2,1-2H3;3H,1,4-6H2,2H3
InChIKeyIZKZHTJSFCNQDW-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.63
Rot. Bonds15

About hexadec-6-ene;hex-1-ene

hexadec-6-ene;hex-1-ene (PubChem CID 158850904) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is hexadec-6-ene;hex-1-ene.

Molecular Properties

Compound Namehexadec-6-ene;hex-1-ene
PubChem CID158850904
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Namehexadec-6-ene;hex-1-ene
SMILESC=CCCCC.CCCCCC=CCCCCCCCCC
InChIInChI=1S/C16H32.C6H12/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-6-4-2/h11,13H,3-10,12,14-16H2,1-2H3;3H,1,4-6H2,2H3
InChIKeyIZKZHTJSFCNQDW-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.63
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'}

Analyze hexadec-6-ene;hex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683
tricosa-1,6-diene
CID 175196703
hexadeca-1,7,11-triene
CID 174048514

Frequently Asked Questions

What is the IUPAC name of hexadec-6-ene;hex-1-ene?
The IUPAC name of hexadec-6-ene;hex-1-ene (CID 158850904) is hexadec-6-ene;hex-1-ene.
What is the SMILES notation for hexadec-6-ene;hex-1-ene?
The canonical SMILES for hexadec-6-ene;hex-1-ene is C=CCCCC.CCCCCC=CCCCCCCCCC.
What is the InChIKey of hexadec-6-ene;hex-1-ene?
The InChIKey is IZKZHTJSFCNQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.C6H12/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-6-4-2/h11,13H,3-10,12,14-16H2,1-2H3;3H,1,4-6H2,2H3.
What are the key properties of hexadec-6-ene;hex-1-ene?
hexadec-6-ene;hex-1-ene has a molecular weight of 308.59 g/mol, XLogP of 8.63, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-6-ene;hex-1-ene is sourced from PubChem (CID 158850904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).