(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone

C13H18O2 — CID 64738417

IUPAC(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
SMILESCC1CCC(C(=O)c2ccco2)CC1C
InChIInChI=1S/C13H18O2/c1-9-5-6-11(8-10(9)2)13(14)12-4-3-7-15-12/h3-4,7,9-11H,5-6,8H2,1-2H3
InChIKeyGSNNOLPFLWIIMG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.53
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone

(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone (PubChem CID 64738417) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
PubChem CID64738417
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
SMILESCC1CCC(C(=O)c2ccco2)CC1C
InChIInChI=1S/C13H18O2/c1-9-5-6-11(8-10(9)2)13(14)12-4-3-7-15-12/h3-4,7,9-11H,5-6,8H2,1-2H3
InChIKeyGSNNOLPFLWIIMG-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-2-yl(furan-2-yl)methanone
CID 65408377
3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone
CID 25094463
(3,4-dimethylcyclohexyl)-thiophen-2-ylmethanone
CID 64740221
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975482
1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
CID 43138918
furan-2-yl-[2-(trifluoromethyl)cyclopropyl]methanone
CID 122389475
[(3S,5R)-3,5-dimethylcyclohexyl] furan-2-carboxylate
CID 849243
2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol
CID 75509295
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 107176485
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone?
The IUPAC name of (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone (CID 64738417) is (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone is CC1CCC(C(=O)c2ccco2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone?
The InChIKey is GSNNOLPFLWIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-5-6-11(8-10(9)2)13(14)12-4-3-7-15-12/h3-4,7,9-11H,5-6,8H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone?
(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone has a molecular weight of 206.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(furan-2-yl)methanone is sourced from PubChem (CID 64738417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).