[(E)-3-prop-2-enylhept-1-enyl]cyclohexane

C16H28 — CID 102059705

IUPAC[(E)-3-prop-2-enylhept-1-enyl]cyclohexane
SMILESC=CCC(/C=C/C1CCCCC1)CCCC
InChIInChI=1S/C16H28/c1-3-5-10-15(9-4-2)13-14-16-11-7-6-8-12-16/h4,13-16H,2-3,5-12H2,1H3/b14-13+
InChIKeyCCQALWCKPLOGCF-BUHFOSPRSA-N
MW220.40 g/mol
LogP5.51
Rot. Bonds7

About [(E)-3-prop-2-enylhept-1-enyl]cyclohexane

[(E)-3-prop-2-enylhept-1-enyl]cyclohexane (PubChem CID 102059705) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is [(E)-3-prop-2-enylhept-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-prop-2-enylhept-1-enyl]cyclohexane
PubChem CID102059705
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name[(E)-3-prop-2-enylhept-1-enyl]cyclohexane
SMILESC=CCC(/C=C/C1CCCCC1)CCCC
InChIInChI=1S/C16H28/c1-3-5-10-15(9-4-2)13-14-16-11-7-6-8-12-16/h4,13-16H,2-3,5-12H2,1H3/b14-13+
InChIKeyCCQALWCKPLOGCF-BUHFOSPRSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-3-prop-2-enylhept-1-enyl]cyclohexane 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

5-prop-2-enylnona-1,3-diene
CID 91355229
dicyclohexyl-methyl-oct-1-en-4-ylsilane
CID 101122160
[(E)-oct-2-en-4-yl]cyclohexane
CID 134979965
(4S)-4-ethyloct-1-ene
CID 129373406
2-prop-2-enyloctadecanal
CID 173235739
1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane
CID 144959741
boranuide;tributyl(cyclohexyl)phosphanium
CID 173280265
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
1-oct-1-en-4-ylbicyclo[2.2.2]octane
CID 57249843
tributyl-[(E)-2-cyclohexylethenyl]stannane
CID 10862246
6-prop-2-enyldeca-3,4-dien-2-ol
CID 134982558
non-1-enylcyclopentane
CID 86065492

Frequently Asked Questions

What is the IUPAC name of [(E)-3-prop-2-enylhept-1-enyl]cyclohexane?
The IUPAC name of [(E)-3-prop-2-enylhept-1-enyl]cyclohexane (CID 102059705) is [(E)-3-prop-2-enylhept-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-prop-2-enylhept-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3-prop-2-enylhept-1-enyl]cyclohexane is C=CCC(/C=C/C1CCCCC1)CCCC.
What is the InChIKey of [(E)-3-prop-2-enylhept-1-enyl]cyclohexane?
The InChIKey is CCQALWCKPLOGCF-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H28/c1-3-5-10-15(9-4-2)13-14-16-11-7-6-8-12-16/h4,13-16H,2-3,5-12H2,1H3/b14-13+.
What are the key properties of [(E)-3-prop-2-enylhept-1-enyl]cyclohexane?
[(E)-3-prop-2-enylhept-1-enyl]cyclohexane has a molecular weight of 220.40 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-prop-2-enylhept-1-enyl]cyclohexane is sourced from PubChem (CID 102059705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).