1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C10H16O2 — CID 89099589

IUPAC1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCC1CC2C(C)OC(=O)C2C1C
InChIInChI=1S/C10H16O2/c1-5-4-8-7(3)12-10(11)9(8)6(5)2/h5-9H,4H2,1-3H3
InChIKeyDICGRHQPSYZENS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.84
Rot. Bonds

About 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 89099589) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID89099589
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCC1CC2C(C)OC(=O)C2C1C
InChIInChI=1S/C10H16O2/c1-5-4-8-7(3)12-10(11)9(8)6(5)2/h5-9H,4H2,1-3H3
InChIKeyDICGRHQPSYZENS-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 89099589) is 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is CC1CC2C(C)OC(=O)C2C1C.
What is the InChIKey of 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is DICGRHQPSYZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-4-8-7(3)12-10(11)9(8)6(5)2/h5-9H,4H2,1-3H3.
What are the key properties of 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 89099589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).