3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one

C9H12O2 — CID 13332066

IUPAC3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one
SMILESCC1(C)OCC2CC(=O)C=C21
InChIInChI=1S/C9H12O2/c1-9(2)8-4-7(10)3-6(8)5-11-9/h4,6H,3,5H2,1-2H3
InChIKeyKLLPZHZLEBNHML-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.31
Rot. Bonds

About 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one

3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one (PubChem CID 13332066) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one.

Molecular Properties

Compound Name3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one
PubChem CID13332066
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one
SMILESCC1(C)OCC2CC(=O)C=C21
InChIInChI=1S/C9H12O2/c1-9(2)8-4-7(10)3-6(8)5-11-9/h4,6H,3,5H2,1-2H3
InChIKeyKLLPZHZLEBNHML-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one?
The IUPAC name of 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one (CID 13332066) is 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one.
What is the SMILES notation for 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one?
The canonical SMILES for 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one is CC1(C)OCC2CC(=O)C=C21.
What is the InChIKey of 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one?
The InChIKey is KLLPZHZLEBNHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-9(2)8-4-7(10)3-6(8)5-11-9/h4,6H,3,5H2,1-2H3.
What are the key properties of 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one?
3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one has a molecular weight of 152.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6,6a-dihydro-1H-cyclopenta[c]furan-5-one is sourced from PubChem (CID 13332066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).