(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C20H30O — CID 107176215

IUPAC(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)C2CCCCC2(C)C)c(C)c1C
InChIInChI=1S/C20H30O/c1-12-13(2)15(4)18(16(5)14(12)3)19(21)17-10-8-9-11-20(17,6)7/h17H,8-11H2,1-7H3
InChIKeyUGEUWGIWTLNQSH-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.63
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone

(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 107176215) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID107176215
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)C2CCCCC2(C)C)c(C)c1C
InChIInChI=1S/C20H30O/c1-12-13(2)15(4)18(16(5)14(12)3)19(21)17-10-8-9-11-20(17,6)7/h17H,8-11H2,1-7H3
InChIKeyUGEUWGIWTLNQSH-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 107176215) is (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)C2CCCCC2(C)C)c(C)c1C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is UGEUWGIWTLNQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-12-13(2)15(4)18(16(5)14(12)3)19(21)17-10-8-9-11-20(17,6)7/h17H,8-11H2,1-7H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 286.46 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 107176215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).