4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one

C13H22O2 — CID 21351510

IUPAC4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
SMILESCCC1CC(CC)C2(C)C(=O)OCC12C
InChIInChI=1S/C13H22O2/c1-5-9-7-10(6-2)13(4)11(14)15-8-12(9,13)3/h9-10H,5-8H2,1-4H3
InChIKeySLEOTKGHHOYYQZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.01
Rot. Bonds2

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

4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 21351510) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
PubChem CID21351510
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
SMILESCCC1CC(CC)C2(C)C(=O)OCC12C
InChIInChI=1S/C13H22O2/c1-5-9-7-10(6-2)13(4)11(14)15-8-12(9,13)3/h9-10H,5-8H2,1-4H3
InChIKeySLEOTKGHHOYYQZ-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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Related Compounds

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CID 10080772
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CID 71450817
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CID 134827981
CID 134827981
CID 10630992
CID 10630992
CID 11217473
CID 11217473
CID 15259808
CID 15259808
CID 58974878
CID 58974878
CID 110701
CID 110701
CID 44512746
CID 44512746
CID 14201281
CID 14201281

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one (CID 21351510) is 4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one is CCC1CC(CC)C2(C)C(=O)OCC12C.
What is the InChIKey of 4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is SLEOTKGHHOYYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-9-7-10(6-2)13(4)11(14)15-8-12(9,13)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
4,6-diethyl-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-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-3a,6a-dimethyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 21351510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).