2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone

C13H20O2 — CID 130579264

IUPAC2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2=COCC2)CC1
InChIInChI=1S/C13H20O2/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-9-12/h9-11H,2-8H2,1H3
InChIKeyWYSXSEBGPXFGMR-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds3

About 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone

2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone (PubChem CID 130579264) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone
PubChem CID130579264
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2=COCC2)CC1
InChIInChI=1S/C13H20O2/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-9-12/h9-11H,2-8H2,1H3
InChIKeyWYSXSEBGPXFGMR-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579792
2-Cyclohexyl-5-methoxypent-1-en-3-one
CID 122518622
1-[4-(1-Propan-2-yloxyethenyl)cyclohexyl]propan-1-one
CID 156047522
4-[(4aS,8R)-4,4a,5,6,7,8-hexahydro-3H-isochromen-8-yl]butan-2-one
CID 10856703
2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one
CID 10943376
(2S,3R)-2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090574
2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one
CID 14910840
4-[(4S,5R,7aR)-1,1,5-trimethyl-5,6,7,7a-tetrahydro-4H-2-benzofuran-4-yl]butan-2-one
CID 21628188
2-Cyclohexyl-5-methyl-2,3-dihydropyran-4-one
CID 86228817
2-Methyl-1-(1-oxaspiro[5.5]undecan-4-yl)prop-2-en-1-one
CID 103446355

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone (CID 130579264) is 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)C2=COCC2)CC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone?
The InChIKey is WYSXSEBGPXFGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-9-12/h9-11H,2-8H2,1H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone?
2,3-dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.08, 3 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-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 130579264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).