[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene

C22H30 — CID 19005523

IUPAC[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
SMILESCCCCC1CCC(C2C=CC(c3ccccc3)=CC2)CC1
InChIInChI=1S/C22H30/c1-2-3-7-18-10-12-20(13-11-18)22-16-14-21(15-17-22)19-8-5-4-6-9-19/h4-6,8-9,14-16,18,20,22H,2-3,7,10-13,17H2,1H3
InChIKeyRPZSABWPHXVKCP-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.64
Rot. Bonds5

About [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene

[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene (PubChem CID 19005523) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene.

Molecular Properties

Compound Name[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
PubChem CID19005523
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
SMILESCCCCC1CCC(C2C=CC(c3ccccc3)=CC2)CC1
InChIInChI=1S/C22H30/c1-2-3-7-18-10-12-20(13-11-18)22-16-14-21(15-17-22)19-8-5-4-6-9-19/h4-6,8-9,14-16,18,20,22H,2-3,7,10-13,17H2,1H3
InChIKeyRPZSABWPHXVKCP-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene 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-bromo-4-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005697
1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene
CID 19005512
1-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-octylbenzene
CID 19005566
1-decoxy-4-[4-(4-octylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005373
1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005633
2,5-bis(4-decylcyclohexyl)cyclohexa-1,3-diene
CID 139627557
5-(4-octylcyclohexyl)-2-(4-pentylcyclohexyl)cyclohexa-1,3-diene
CID 139627532
1-decyl-2,3-difluoro-4-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005440
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
2-(4-decylcyclohexyl)-5-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 139627529
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde
CID 145172633

Frequently Asked Questions

What is the IUPAC name of [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene?
The IUPAC name of [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene (CID 19005523) is [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene.
What is the SMILES notation for [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene?
The canonical SMILES for [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene is CCCCC1CCC(C2C=CC(c3ccccc3)=CC2)CC1.
What is the InChIKey of [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene?
The InChIKey is RPZSABWPHXVKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-2-3-7-18-10-12-20(13-11-18)22-16-14-21(15-17-22)19-8-5-4-6-9-19/h4-6,8-9,14-16,18,20,22H,2-3,7,10-13,17H2,1H3.
What are the key properties of [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene?
[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene has a molecular weight of 294.48 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene is sourced from PubChem (CID 19005523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).