1-cyclohexyl-3-hexan-3-yl-5-methylbenzene

C19H30 — CID 143194655

IUPAC1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
SMILESCCCC(CC)c1cc(C)cc(C2CCCCC2)c1
InChIInChI=1S/C19H30/c1-4-9-16(5-2)18-12-15(3)13-19(14-18)17-10-7-6-8-11-17/h12-14,16-17H,4-11H2,1-3H3
InChIKeyNYCNLIJBHHJXPP-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.34
Rot. Bonds5

About 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene

1-cyclohexyl-3-hexan-3-yl-5-methylbenzene (PubChem CID 143194655) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene.

Molecular Properties

Compound Name1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
PubChem CID143194655
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
SMILESCCCC(CC)c1cc(C)cc(C2CCCCC2)c1
InChIInChI=1S/C19H30/c1-4-9-16(5-2)18-12-15(3)13-19(14-18)17-10-7-6-8-11-17/h12-14,16-17H,4-11H2,1-3H3
InChIKeyNYCNLIJBHHJXPP-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
CID 123832552
1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
CID 19990202
2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol
CID 144690610
1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene
CID 144560957
butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine
CID 142209245
1-tert-butyl-3-cyclohexyl-5-methylbenzene
CID 155650846
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
1,3,5-tricyclopentylbenzene
CID 611596
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
(4aS)-9-(3-cyclohexyl-5-pentan-3-ylphenyl)-10-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 143566439
1,5-dicyclohexyl-2-[fluoro(hydroxysulfanyl)methyl]sulfanyloxy-3-hexan-3-ylbenzene
CID 144690751
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene?
The IUPAC name of 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene (CID 143194655) is 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene.
What is the SMILES notation for 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene?
The canonical SMILES for 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene is CCCC(CC)c1cc(C)cc(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene?
The InChIKey is NYCNLIJBHHJXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-4-9-16(5-2)18-12-15(3)13-19(14-18)17-10-7-6-8-11-17/h12-14,16-17H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene?
1-cyclohexyl-3-hexan-3-yl-5-methylbenzene has a molecular weight of 258.45 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-hexan-3-yl-5-methylbenzene is sourced from PubChem (CID 143194655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).