hexane;(Z)-hex-2-ene

C12H26 — CID 159343029

IUPAChexane;(Z)-hex-2-ene
SMILESC/C=C\CCC.CCCCCC
InChIInChI=1S/C6H14.C6H12/c2*1-3-5-6-4-2/h3-6H2,1-2H3;3,5H,4,6H2,1-2H3/b;5-3-
InChIKeyLGJHRLSNZBOYOA-PJAIOPLOSA-N
MW170.34 g/mol
LogP4.95
Rot. Bonds5

About hexane;(Z)-hex-2-ene

hexane;(Z)-hex-2-ene (PubChem CID 159343029) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is hexane;(Z)-hex-2-ene.

Molecular Properties

Compound Namehexane;(Z)-hex-2-ene
PubChem CID159343029
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namehexane;(Z)-hex-2-ene
SMILESC/C=C\CCC.CCCCCC
InChIInChI=1S/C6H14.C6H12/c2*1-3-5-6-4-2/h3-6H2,1-2H3;3,5H,4,6H2,1-2H3/b;5-3-
InChIKeyLGJHRLSNZBOYOA-PJAIOPLOSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.95
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 hexane;(Z)-hex-2-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

acetaldehyde;hexane;bis((E)-hex-2-ene);pentane
CID 160632813
(Z)-oct-2-ene
CID 5356796
ethane;(E)-hex-2-ene
CID 142405633
(Z)-icos-2-ene
CID 5352524
oct-2-ene;hydrochloride
CID 86744102
butane;ethane;(E)-hex-2-ene
CID 143010099
(6Z)-deca-2,6-diene
CID 159397578
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
but-2-ene;hex-2-ene;oct-4-ene;ruthenium
CID 161087465
(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene
CID 173035981
sodium;hydride;octadec-2-ene
CID 175594563

Frequently Asked Questions

What is the IUPAC name of hexane;(Z)-hex-2-ene?
The IUPAC name of hexane;(Z)-hex-2-ene (CID 159343029) is hexane;(Z)-hex-2-ene.
What is the SMILES notation for hexane;(Z)-hex-2-ene?
The canonical SMILES for hexane;(Z)-hex-2-ene is C/C=C\CCC.CCCCCC.
What is the InChIKey of hexane;(Z)-hex-2-ene?
The InChIKey is LGJHRLSNZBOYOA-PJAIOPLOSA-N. The full InChI is InChI=1S/C6H14.C6H12/c2*1-3-5-6-4-2/h3-6H2,1-2H3;3,5H,4,6H2,1-2H3/b;5-3-.
What are the key properties of hexane;(Z)-hex-2-ene?
hexane;(Z)-hex-2-ene has a molecular weight of 170.34 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;(Z)-hex-2-ene is sourced from PubChem (CID 159343029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).