6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene

C13H18 — CID 123418674

IUPAC6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1C1=CCCCC1
InChIInChI=1S/C13H18/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h5-8,13H,2-4,9-10H2,1H3
InChIKeyYHAUXLNMIQJOOU-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.01
Rot. Bonds1

About 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene

6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene (PubChem CID 123418674) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene
PubChem CID123418674
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1C1=CCCCC1
InChIInChI=1S/C13H18/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h5-8,13H,2-4,9-10H2,1H3
InChIKeyYHAUXLNMIQJOOU-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene 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-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981
(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene
CID 163531079
1-cyclopent-2-en-1-ylcyclohexene
CID 14358731
1-(3,4-dimethylcyclopentyl)cycloheptene
CID 153303899
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
(1E)-1-cyclohexylcyclodecene
CID 139760930
1-methylcyclodeca-1,3-diene
CID 123810679
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 159396232
1-cyclooctylcycloocta-1,3-diene
CID 154370011
7-methyl-2,3,4,5-tetrahydrooxepine
CID 142050874

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene (CID 123418674) is 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene is CC1=CC=CCC1C1=CCCCC1.
What is the InChIKey of 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene?
The InChIKey is YHAUXLNMIQJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene?
6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene has a molecular weight of 174.29 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123418674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).