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

C7H12O2 — CID 10678252

IUPAC(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
SMILESO[C@H]1CC[C@H]2OCC[C@@H]12
InChIInChI=1S/C7H12O2/c8-6-1-2-7-5(6)3-4-9-7/h5-8H,1-4H2/t5-,6-,7+/m0/s1
InChIKeyPFGAMOWXKUIQIK-LYFYHCNISA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds

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

(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol (PubChem CID 10678252) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol.

Molecular Properties

Compound Name(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
PubChem CID10678252
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
SMILESO[C@H]1CC[C@H]2OCC[C@@H]12
InChIInChI=1S/C7H12O2/c8-6-1-2-7-5(6)3-4-9-7/h5-8H,1-4H2/t5-,6-,7+/m0/s1
InChIKeyPFGAMOWXKUIQIK-LYFYHCNISA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2-Oxabicyclo[2.2.1]heptan-5-ol
CID 14020446
(hexahydro-2H-cyclopenta[b]furan-3a-yl)methanol
CID 84075959
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 11849279
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 72421246
(3aR,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 9548655
2-oxabicyclo-[3.3.0]octan-3(R,S)-ol
CID 12645859
Hexahydro-2H-cyclopenta[b]furan-3-ol
CID 14148356
4-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14383865
(3S,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 21595351
(3R,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 21796761
2,3,3a,4,5,6-Hexahydrocyclopenta[b]furan-6a-ol
CID 23154286
(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 54186143

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol?
The IUPAC name of (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol (CID 10678252) is (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol.
What is the SMILES notation for (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol?
The canonical SMILES for (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol is O[C@H]1CC[C@H]2OCC[C@@H]12.
What is the InChIKey of (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol?
The InChIKey is PFGAMOWXKUIQIK-LYFYHCNISA-N. The full InChI is InChI=1S/C7H12O2/c8-6-1-2-7-5(6)3-4-9-7/h5-8H,1-4H2/t5-,6-,7+/m0/s1.
What are the key properties of (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol?
(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol has a molecular weight of 128.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol is sourced from PubChem (CID 10678252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).