(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone

C15H22O2 — CID 107176518

IUPAC(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CCCCC2(C)C)o1
InChIInChI=1S/C15H22O2/c1-4-11-8-9-13(17-11)14(16)12-7-5-6-10-15(12,2)3/h8-9,12H,4-7,10H2,1-3H3
InChIKeyOWDWFFCGYAZZSL-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.24
Rot. Bonds3

About (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone

(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone (PubChem CID 107176518) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
PubChem CID107176518
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CCCCC2(C)C)o1
InChIInChI=1S/C15H22O2/c1-4-11-8-9-13(17-11)14(16)12-7-5-6-10-15(12,2)3/h8-9,12H,4-7,10H2,1-3H3
InChIKeyOWDWFFCGYAZZSL-UHFFFAOYSA-N
XLogP4.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,2-dimethylcyclohexanecarbonyl)furan-2-carboxylic acid
CID 107187699
(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
CID 107000752
(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107176714
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 107175730
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 107176485
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
2-cyclopropyl-1-(5-ethylfuran-2-yl)ethanone
CID 62346024
(4-tert-butylphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176238
(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 107186902
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
5-ethyl-N-[(2-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64929693

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone (CID 107176518) is (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)C2CCCCC2(C)C)o1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is OWDWFFCGYAZZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-11-8-9-13(17-11)14(16)12-7-5-6-10-15(12,2)3/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone?
(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 234.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 107176518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).