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

C13H20O2 — CID 130579796

IUPAC2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)C1=COCC1
InChIInChI=1S/C13H20O2/c1-13(2)7-4-3-5-11(13)12(14)10-6-8-15-9-10/h9,11H,3-8H2,1-2H3
InChIKeyAONFLACJKHSCJI-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds2

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

2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone (PubChem CID 130579796) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone
PubChem CID130579796
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)C1=COCC1
InChIInChI=1S/C13H20O2/c1-13(2)7-4-3-5-11(13)12(14)10-6-8-15-9-10/h9,11H,3-8H2,1-2H3
InChIKeyAONFLACJKHSCJI-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone (CID 130579796) is 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone is CC1(C)CCCCC1C(=O)C1=COCC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is AONFLACJKHSCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2)7-4-3-5-11(13)12(14)10-6-8-15-9-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone?
2,3-dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.08, 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-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 130579796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).