(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone

C13H18O2 — CID 107176485

IUPAC(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
SMILESCC1(C)CCCCC1C(=O)c1ccco1
InChIInChI=1S/C13H18O2/c1-13(2)8-4-3-6-10(13)12(14)11-7-5-9-15-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyHKEHOCQOWGDDSG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.68
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone

(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone (PubChem CID 107176485) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
PubChem CID107176485
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
SMILESCC1(C)CCCCC1C(=O)c1ccco1
InChIInChI=1S/C13H18O2/c1-13(2)8-4-3-6-10(13)12(14)11-7-5-9-15-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyHKEHOCQOWGDDSG-UHFFFAOYSA-N
XLogP3.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.68
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-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
CID 107176518
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
(4-tert-butylphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176238
2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214512
(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107176714
furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099254
6-(furan-2-carbonyl)spiro[2.4]heptan-7-one
CID 165474394
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
(5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176311
[1-(dimethylamino)cyclopentyl]-(furan-2-yl)methanone
CID 79067370

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone (CID 107176485) is (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone is CC1(C)CCCCC1C(=O)c1ccco1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone?
The InChIKey is HKEHOCQOWGDDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)8-4-3-6-10(13)12(14)11-7-5-9-15-11/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone?
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone has a molecular weight of 206.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(furan-2-yl)methanone is sourced from PubChem (CID 107176485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).