1-methyl-4-pentan-2-ylcyclohexa-1,3-diene

C12H20 — CID 144780795

IUPAC1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
SMILESCCCC(C)C1=CC=C(C)CC1
InChIInChI=1S/C12H20/c1-4-5-11(3)12-8-6-10(2)7-9-12/h6,8,11H,4-5,7,9H2,1-3H3
InChIKeyAMAZICNHWHFSCQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds3

About 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene

1-methyl-4-pentan-2-ylcyclohexa-1,3-diene (PubChem CID 144780795) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
PubChem CID144780795
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
SMILESCCCC(C)C1=CC=C(C)CC1
InChIInChI=1S/C12H20/c1-4-5-11(3)12-8-6-10(2)7-9-12/h6,8,11H,4-5,7,9H2,1-3H3
InChIKeyAMAZICNHWHFSCQ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-pentan-2-ylcyclohexa-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-(1-fluorobutyl)-4-methylcyclohexa-1,3-diene
CID 143594050
1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
CID 71404158
1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium
CID 145474235
1-pentan-2-ylcyclobutene
CID 123526137
1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene
CID 163001074
2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine
CID 91318573
N-[3-(4-pentan-2-ylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]acetamide
CID 166117433
4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 145100474
1-pentan-2-ylcyclopentene
CID 21242449
5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol
CID 142281390
1-methyl-4-(2,2,5,5-tetramethylheptan-3-yl)cyclohexa-1,3-diene
CID 123780378
(E)-N-but-2-enyl-5-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-2-propyloct-2-en-1-amine
CID 155207226

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene (CID 144780795) is 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene is CCCC(C)C1=CC=C(C)CC1.
What is the InChIKey of 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene?
The InChIKey is AMAZICNHWHFSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-5-11(3)12-8-6-10(2)7-9-12/h6,8,11H,4-5,7,9H2,1-3H3.
What are the key properties of 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene?
1-methyl-4-pentan-2-ylcyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pentan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 144780795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).