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

C12H18O2 — CID 130579748

IUPAC2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)C1=COCC1
InChIInChI=1S/C12H18O2/c1-12(2)6-3-4-10(12)11(13)9-5-7-14-8-9/h8,10H,3-7H2,1-2H3
InChIKeyMRLQQQXNYQQWAA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds2

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

2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone (PubChem CID 130579748) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone
PubChem CID130579748
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)C1=COCC1
InChIInChI=1S/C12H18O2/c1-12(2)6-3-4-10(12)11(13)9-5-7-14-8-9/h8,10H,3-7H2,1-2H3
InChIKeyMRLQQQXNYQQWAA-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-dimethylcyclopentyl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone (CID 130579748) is 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)C1=COCC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is MRLQQQXNYQQWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2)6-3-4-10(12)11(13)9-5-7-14-8-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone?
2,3-dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.69, 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-dimethylcyclopentyl)methanone is sourced from PubChem (CID 130579748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).