1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane

C25H46 — CID 91432939

IUPAC1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
SMILESCC.CC.CC.Cc1ccc(C2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28.3C2H6/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;3*1-2/h7-10,16,18-19H,2-6,11-14H2,1H3;3*1-2H3
InChIKeyNFHNYVUPOGFHKT-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.93
Rot. Bonds2

About 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane

1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane (PubChem CID 91432939) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
PubChem CID91432939
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
SMILESCC.CC.CC.Cc1ccc(C2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28.3C2H6/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;3*1-2/h7-10,16,18-19H,2-6,11-14H2,1H3;3*1-2H3
InChIKeyNFHNYVUPOGFHKT-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
butane;1-(4-cyclohexylcyclohexyl)ethanone;1-cyclohexyl-4-methylbenzene
CID 145386737
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane?
The IUPAC name of 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane (CID 91432939) is 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane.
What is the SMILES notation for 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane?
The canonical SMILES for 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane is CC.CC.CC.Cc1ccc(C2CCC(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane?
The InChIKey is NFHNYVUPOGFHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28.3C2H6/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;3*1-2/h7-10,16,18-19H,2-6,11-14H2,1H3;3*1-2H3.
What are the key properties of 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane?
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane has a molecular weight of 346.64 g/mol, XLogP of 8.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane is sourced from PubChem (CID 91432939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).