6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one

C11H18O2 — CID 14136517

IUPAC6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCC(C)C1CCC2(C)COC(=O)C12
InChIInChI=1S/C11H18O2/c1-7(2)8-4-5-11(3)6-13-10(12)9(8)11/h7-9H,4-6H2,1-3H3
InChIKeyCRGQOTIGWIMTDA-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds1

About 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one

6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 14136517) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID14136517
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCC(C)C1CCC2(C)COC(=O)C12
InChIInChI=1S/C11H18O2/c1-7(2)8-4-5-11(3)6-13-10(12)9(8)11/h7-9H,4-6H2,1-3H3
InChIKeyCRGQOTIGWIMTDA-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 14136517) is 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one is CC(C)C1CCC2(C)COC(=O)C12.
What is the InChIKey of 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is CRGQOTIGWIMTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7(2)8-4-5-11(3)6-13-10(12)9(8)11/h7-9H,4-6H2,1-3H3.
What are the key properties of 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one?
6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 182.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 14136517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).