4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

C13H22O2 — CID 21351511

IUPAC4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
SMILESCCC1CC(CC)C2C1C(=O)OC2(C)C
InChIInChI=1S/C13H22O2/c1-5-8-7-9(6-2)11-10(8)12(14)15-13(11,3)4/h8-11H,5-7H2,1-4H3
InChIKeySAKROSYZSRZLBO-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.01
Rot. Bonds2

About 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one (PubChem CID 21351511) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one.

Molecular Properties

Compound Name4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
PubChem CID21351511
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
SMILESCCC1CC(CC)C2C1C(=O)OC2(C)C
InChIInChI=1S/C13H22O2/c1-5-8-7-9(6-2)11-10(8)12(14)15-13(11,3)4/h8-11H,5-7H2,1-4H3
InChIKeySAKROSYZSRZLBO-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The IUPAC name of 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one (CID 21351511) is 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one.
What is the SMILES notation for 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The canonical SMILES for 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one is CCC1CC(CC)C2C1C(=O)OC2(C)C.
What is the InChIKey of 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The InChIKey is SAKROSYZSRZLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-8-7-9(6-2)11-10(8)12(14)15-13(11,3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one is sourced from PubChem (CID 21351511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).