5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene

C12H18 — CID 163741635

IUPAC5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
SMILESCC1C=CC(C2(C)CCC2)=CC1
InChIInChI=1S/C12H18/c1-10-4-6-11(7-5-10)12(2)8-3-9-12/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyLIHBANANMRIYGF-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds1

About 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene

5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene (PubChem CID 163741635) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
PubChem CID163741635
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
SMILESCC1C=CC(C2(C)CCC2)=CC1
InChIInChI=1S/C12H18/c1-10-4-6-11(7-5-10)12(2)8-3-9-12/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyLIHBANANMRIYGF-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 145306811
2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
CID 163641813
O-(4-methylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamothioate
CID 118282020
2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 144873837
5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene
CID 141409327
1-[1-(4-iodocyclohexa-1,5-dien-1-yl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
CID 70222965
(4-methylcyclohexa-1,5-dien-1-yl)diazene
CID 142980862
2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 142950049
4-iodo-9-(4-methylcyclohexa-1,5-dien-1-yl)-9-(4-methylphenyl)fluorene
CID 126551976
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene?
The IUPAC name of 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene (CID 163741635) is 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene is CC1C=CC(C2(C)CCC2)=CC1.
What is the InChIKey of 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene?
The InChIKey is LIHBANANMRIYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-10-4-6-11(7-5-10)12(2)8-3-9-12/h4,6-7,10H,3,5,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene?
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene is sourced from PubChem (CID 163741635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).