(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone

C18H26O — CID 65389610

IUPAC(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCC(C)(C)CC2)cc1C
InChIInChI=1S/C18H26O/c1-12-10-14(3)16(11-13(12)2)17(19)15-6-8-18(4,5)9-7-15/h10-11,15H,6-9H2,1-5H3
InChIKeyFTLRDFKUQLGPRW-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.01
Rot. Bonds2

About (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone

(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 65389610) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
PubChem CID65389610
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCC(C)(C)CC2)cc1C
InChIInChI=1S/C18H26O/c1-12-10-14(3)16(11-13(12)2)17(19)15-6-8-18(4,5)9-7-15/h10-11,15H,6-9H2,1-5H3
InChIKeyFTLRDFKUQLGPRW-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone (CID 65389610) is (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCC(C)(C)CC2)cc1C.
What is the InChIKey of (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is FTLRDFKUQLGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-12-10-14(3)16(11-13(12)2)17(19)15-6-8-18(4,5)9-7-15/h10-11,15H,6-9H2,1-5H3.
What are the key properties of (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone?
(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 258.40 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 65389610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).