3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C7H12O — CID 14039396

IUPAC3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC1CC2CCOC2C1
InChIInChI=1S/C7H12O/c1-2-6-4-5-8-7(6)3-1/h6-7H,1-5H2
InChIKeyQHINYJQPBCMLCJ-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.58
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 14039396) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID14039396
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC1CC2CCOC2C1
InChIInChI=1S/C7H12O/c1-2-6-4-5-8-7(6)3-1/h6-7H,1-5H2
InChIKeyQHINYJQPBCMLCJ-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan 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 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 14039396) is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C1CC2CCOC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is QHINYJQPBCMLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-6-4-5-8-7(6)3-1/h6-7H,1-5H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 112.17 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 14039396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).