1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene

C22H34 — CID 59821631

IUPAC1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
SMILESCc1cc(CC2CCCCC2)c(C)cc1CC1CCCCC1
InChIInChI=1S/C22H34/c1-17-13-22(16-20-11-7-4-8-12-20)18(2)14-21(17)15-19-9-5-3-6-10-19/h13-14,19-20H,3-12,15-16H2,1-2H3
InChIKeyITPKJNGUFCAKCC-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.55
Rot. Bonds4

About 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene

1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene (PubChem CID 59821631) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
PubChem CID59821631
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
SMILESCc1cc(CC2CCCCC2)c(C)cc1CC1CCCCC1
InChIInChI=1S/C22H34/c1-17-13-22(16-20-11-7-4-8-12-20)18(2)14-21(17)15-19-9-5-3-6-10-19/h13-14,19-20H,3-12,15-16H2,1-2H3
InChIKeyITPKJNGUFCAKCC-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(cyclohexylmethyl)-2-methylbenzene
CID 154475769
4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
CID 126628314
(2-methyl-4-propylphenyl)methylcycloheptane
CID 123992425
2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol
CID 45093616
2-(cyclohexylmethyl)-4,6-dimethylphenol
CID 15094976
2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
4-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperidine
CID 117408332
1-(cyclononylmethyl)anthracene
CID 173272600
3-(cyclobutylmethyl)-2-methylthiophene
CID 18942959

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene?
The IUPAC name of 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene (CID 59821631) is 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene.
What is the SMILES notation for 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene?
The canonical SMILES for 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene is Cc1cc(CC2CCCCC2)c(C)cc1CC1CCCCC1.
What is the InChIKey of 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene?
The InChIKey is ITPKJNGUFCAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-17-13-22(16-20-11-7-4-8-12-20)18(2)14-21(17)15-19-9-5-3-6-10-19/h13-14,19-20H,3-12,15-16H2,1-2H3.
What are the key properties of 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene?
1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene has a molecular weight of 298.51 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene is sourced from PubChem (CID 59821631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).