2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone

C12H18O2 — CID 130579866

IUPAC2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)C2=COCC2)CCCCC1
InChIInChI=1S/C12H18O2/c1-12(6-3-2-4-7-12)11(13)10-5-8-14-9-10/h9H,2-8H2,1H3
InChIKeyXEHLKXRPJZWFTD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds2

About 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone

2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone (PubChem CID 130579866) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone
PubChem CID130579866
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)C2=COCC2)CCCCC1
InChIInChI=1S/C12H18O2/c1-12(6-3-2-4-7-12)11(13)10-5-8-14-9-10/h9H,2-8H2,1H3
InChIKeyXEHLKXRPJZWFTD-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Ethoxy-2-propenyl)-2-methylcyclohexanone
CID 24977073
(10Z)-10-(hydroxymethylidene)-8,8-dimethyl-3-oxaspiro[5.5]undecan-11-one
CID 71276398
(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
CID 89910737
4-Ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
CID 123674093
3-(2,2-Dimethylpentyl)-5-hydroxypyran-4-one
CID 141053071
(2E)-4,4-dimethyl-2-[[11-methyl-10,10-di(propan-2-yl)dodecoxy]methylidene]cyclohexan-1-one
CID 149632450
(2E)-2-(10,10-dimethylundecoxymethylidene)-4,4-dimethylcyclohexan-1-one
CID 151511488
(9Z)-9-(hydroxymethylidene)-7,7-dimethyl-1-oxaspiro[4.5]decan-8-one
CID 168070321
9-(Hydroxymethylidene)-7,7-dimethyl-1-oxaspiro[4.5]decan-8-one
CID 169761010
(2E)-4,4-dimethyl-2-(10,10,11,11-tetramethyldodecoxymethylidene)cyclohexan-1-one
CID 172710884
CID 79834563
CID 79834563
1-(3,4-dihydro-2H-pyran-5-yl)-3,3-dimethylbutan-1-one
CID 104058314

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone (CID 130579866) is 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone is CC1(C(=O)C2=COCC2)CCCCC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone?
The InChIKey is XEHLKXRPJZWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(6-3-2-4-7-12)11(13)10-5-8-14-9-10/h9H,2-8H2,1H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone?
2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-yl-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 130579866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).