(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene

C12H18 — CID 163486366

IUPAC(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene
SMILESC=C/C=C\C[C@@H]1CC=CCC1C
InChIInChI=1S/C12H18/c1-3-4-5-9-12-10-7-6-8-11(12)2/h3-7,11-12H,1,8-10H2,2H3/b5-4-/t11?,12-/m1/s1
InChIKeyCIWUBQIFYBEUMX-MCQQVIDXSA-N
MW162.28 g/mol
LogP3.72
Rot. Bonds3

About (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene

(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene (PubChem CID 163486366) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene.

Molecular Properties

Compound Name(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene
PubChem CID163486366
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene
SMILESC=C/C=C\C[C@@H]1CC=CCC1C
InChIInChI=1S/C12H18/c1-3-4-5-9-12-10-7-6-8-11(12)2/h3-7,11-12H,1,8-10H2,2H3/b5-4-/t11?,12-/m1/s1
InChIKeyCIWUBQIFYBEUMX-MCQQVIDXSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene 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

1-methyl-2-penta-2,4-dienylcyclopentane
CID 162303686
(5R)-4-ethyl-5-methylcyclohexene
CID 154516565
[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol
CID 5368931
cyclopenta-1,3-diene;(3E)-hepta-1,3,6-triene
CID 157104074
2-but-3-enyl-6-methylcyclohexa-1,3-diene
CID 143907191
3-ethenyl-4-methylcyclopentene
CID 143683311
2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile
CID 43128836
5,5,8a-trimethyl-1-[(2E)-penta-2,4-dienyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 144982614
2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
CID 62455176
2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
CID 43128760
benzene;(3E)-hexa-1,3-diene
CID 173449950
2,2-dimethyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butanenitrile
CID 65256273

Frequently Asked Questions

What is the IUPAC name of (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene?
The IUPAC name of (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene (CID 163486366) is (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene.
What is the SMILES notation for (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene?
The canonical SMILES for (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene is C=C/C=C\C[C@@H]1CC=CCC1C.
What is the InChIKey of (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene?
The InChIKey is CIWUBQIFYBEUMX-MCQQVIDXSA-N. The full InChI is InChI=1S/C12H18/c1-3-4-5-9-12-10-7-6-8-11(12)2/h3-7,11-12H,1,8-10H2,2H3/b5-4-/t11?,12-/m1/s1.
What are the key properties of (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene?
(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene is sourced from PubChem (CID 163486366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).