1-(4-methylpentyl)cyclohexa-1,3-diene

C12H20 — CID 19795456

IUPAC1-(4-methylpentyl)cyclohexa-1,3-diene
SMILESCC(C)CCCC1=CC=CCC1
InChIInChI=1S/C12H20/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-4,8,11H,5-7,9-10H2,1-2H3
InChIKeyKVIMVAHCQOWAMV-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-methylpentyl)cyclohexa-1,3-diene

1-(4-methylpentyl)cyclohexa-1,3-diene (PubChem CID 19795456) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(4-methylpentyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(4-methylpentyl)cyclohexa-1,3-diene
PubChem CID19795456
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(4-methylpentyl)cyclohexa-1,3-diene
SMILESCC(C)CCCC1=CC=CCC1
InChIInChI=1S/C12H20/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-4,8,11H,5-7,9-10H2,1-2H3
InChIKeyKVIMVAHCQOWAMV-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-(4-methylpentyl)cyclohexa-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

4-cyclohexa-1,3-dien-1-ylbutane-1-thiol
CID 118054352
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
CID 142152565
1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine
CID 67990663
1-(2-nitroethyl)cyclohexa-1,3-diene
CID 166040137
1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
CID 163751542
5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene
CID 123964059
O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine
CID 142053932
3-cyclohexa-1,3-dien-1-ylbutan-1-ol
CID 123563743
5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 168995095
methyl (E)-5-cyclohexa-1,3-dien-1-ylpent-2-enoate
CID 143932184
(6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 163688291

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)cyclohexa-1,3-diene?
The IUPAC name of 1-(4-methylpentyl)cyclohexa-1,3-diene (CID 19795456) is 1-(4-methylpentyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(4-methylpentyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(4-methylpentyl)cyclohexa-1,3-diene is CC(C)CCCC1=CC=CCC1.
What is the InChIKey of 1-(4-methylpentyl)cyclohexa-1,3-diene?
The InChIKey is KVIMVAHCQOWAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-4,8,11H,5-7,9-10H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)cyclohexa-1,3-diene?
1-(4-methylpentyl)cyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)cyclohexa-1,3-diene is sourced from PubChem (CID 19795456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).