1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene

C22H32 — CID 20538302

IUPAC1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene
SMILESCCCC1CC=C(c2ccc(C3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C22H32/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h11,13-19H,3-10,12H2,1-2H3
InChIKeyXUJHCOGCQOVMKT-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.96
Rot. Bonds4

About 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene

1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene (PubChem CID 20538302) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene
PubChem CID20538302
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene
SMILESCCCC1CC=C(c2ccc(C3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C22H32/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h11,13-19H,3-10,12H2,1-2H3
InChIKeyXUJHCOGCQOVMKT-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene
CID 20538143
1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538092
1-(4-butylcyclohexen-1-yl)-4-(4-nonylcyclohexyl)benzene
CID 20538204
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
1-(4-methylcyclohexen-1-yl)-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538427
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
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-bromo-4-[2-[4-(4-propylcyclohexen-1-yl)phenyl]ethynyl]benzene
CID 139673836
1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
CID 57220140
1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538383
1-(4-ethylcyclohexyl)-4-[4-[4-(2-methylbutyl)cyclohexen-1-yl]phenyl]benzene
CID 20538412

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene?
The IUPAC name of 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene (CID 20538302) is 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene is CCCC1CC=C(c2ccc(C3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene?
The InChIKey is XUJHCOGCQOVMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h11,13-19H,3-10,12H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene?
1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene has a molecular weight of 296.50 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene is sourced from PubChem (CID 20538302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).