1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene

C33H44 — CID 20538280

IUPAC1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
SMILESCCCCCCC1CC=C(c2ccc(-c3ccc(C4=CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C33H44/c1-3-5-6-7-9-27-12-16-29(17-13-27)31-20-24-33(25-21-31)32-22-18-30(19-23-32)28-14-10-26(8-4-2)11-15-28/h14,16,18-27H,3-13,15,17H2,1-2H3
InChIKeyDPNPCLGLWRYIBC-UHFFFAOYSA-N
MW440.72 g/mol
LogP10.49
Rot. Bonds10

About 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene

1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene (PubChem CID 20538280) has the molecular formula C33H44 and a molecular weight of 440.72 g/mol. Its IUPAC name is 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
PubChem CID20538280
Molecular FormulaC33H44
Molecular Weight440.72 g/mol
Exact Mass440.34
IUPAC Name1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
SMILESCCCCCCC1CC=C(c2ccc(-c3ccc(C4=CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C33H44/c1-3-5-6-7-9-27-12-16-29(17-13-27)31-20-24-33(25-21-31)32-22-18-30(19-23-32)28-14-10-26(8-4-2)11-15-28/h14,16,18-27H,3-13,15,17H2,1-2H3
InChIKeyDPNPCLGLWRYIBC-UHFFFAOYSA-N
XLogP10.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
4-(4-octylcyclohexen-1-yl)benzonitrile
CID 70571980
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
1-(4-butylcyclohexen-1-yl)-4-(4-nonylcyclohexyl)benzene
CID 20538204
1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
CID 20538151
1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538092
1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
CID 57220140

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The IUPAC name of 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene (CID 20538280) is 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene.
What is the SMILES notation for 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The canonical SMILES for 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene is CCCCCCC1CC=C(c2ccc(-c3ccc(C4=CCC(CCC)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The InChIKey is DPNPCLGLWRYIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44/c1-3-5-6-7-9-27-12-16-29(17-13-27)31-20-24-33(25-21-31)32-22-18-30(19-23-32)28-14-10-26(8-4-2)11-15-28/h14,16,18-27H,3-13,15,17H2,1-2H3.
What are the key properties of 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene has a molecular weight of 440.72 g/mol, XLogP of 10.49, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene is sourced from PubChem (CID 20538280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).