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

C7H12O — CID 88977594

IUPAC(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC1C[C@H]2CCO[C@H]2C1
InChIInChI=1S/C7H12O/c1-2-6-4-5-8-7(6)3-1/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKeyQHINYJQPBCMLCJ-BQBZGAKWSA-N
MW112.17 g/mol
LogP1.58
Rot. Bonds

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

(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 88977594) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID88977594
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC1C[C@H]2CCO[C@H]2C1
InChIInChI=1S/C7H12O/c1-2-6-4-5-8-7(6)3-1/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKeyQHINYJQPBCMLCJ-BQBZGAKWSA-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 (3aS,6aS)-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

Related Compounds

2-(iodomethyl)-hexahydro-2H-cyclopenta[b]furan
CID 13487203
rac-(3aR,6S,6aS)-6-iodo-hexahydro-2H-cyclopenta(b)furan
CID 137942440
3-Oxabicyclo[3.3.0]octane
CID 10920475
Oxabicyclo(3,3,0)octan
CID 14039396
cis-3-Oxabicyclo[3.3.0]octane
CID 15360282
trans-2-Oxabicyclo[3.3.0]octane
CID 21595350
3,3-Difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 141400247
4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 13334307
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039397
6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039398
3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039400
4-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14383865

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 88977594) is (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C1C[C@H]2CCO[C@H]2C1.
What is the InChIKey of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is QHINYJQPBCMLCJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O/c1-2-6-4-5-8-7(6)3-1/h6-7H,1-5H2/t6-,7-/m0/s1.
What are the key properties of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(3aS,6aS)-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 (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 88977594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).