(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone

C17H30O — CID 107186989

IUPAC(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
SMILESCCC1CCCCC1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C17H30O/c1-4-13-9-5-6-10-14(13)16(18)15-11-7-8-12-17(15,2)3/h13-15H,4-12H2,1-3H3
InChIKeyLXLRUAGHEDCYPE-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.99
Rot. Bonds3

About (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone

(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone (PubChem CID 107186989) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
PubChem CID107186989
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
SMILESCCC1CCCCC1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C17H30O/c1-4-13-9-5-6-10-14(13)16(18)15-11-7-8-12-17(15,2)3/h13-15H,4-12H2,1-3H3
InChIKeyLXLRUAGHEDCYPE-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.99
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-ethylcyclohexyl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone (CID 107186989) is (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone is CCC1CCCCC1C(=O)C1CCCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone?
The InChIKey is LXLRUAGHEDCYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-4-13-9-5-6-10-14(13)16(18)15-11-7-8-12-17(15,2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone?
(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone has a molecular weight of 250.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone is sourced from PubChem (CID 107186989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).