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

C7H12O2 — CID 11849279

IUPAC(3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
SMILESO[C@@H]1C[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C7H12O2/c8-6-3-5-1-2-9-7(5)4-6/h5-8H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyHMQRZBSBDUGBRN-RRKCRQDMSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds

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

(3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol (PubChem CID 11849279) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol.

Molecular Properties

Compound Name(3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
PubChem CID11849279
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
SMILESO[C@@H]1C[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C7H12O2/c8-6-3-5-1-2-9-7(5)4-6/h5-8H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyHMQRZBSBDUGBRN-RRKCRQDMSA-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

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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The IUPAC name of (3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol (CID 11849279) is (3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol.
What is the SMILES notation for (3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The canonical SMILES for (3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol is O[C@@H]1C[C@@H]2CCO[C@@H]2C1.
What is the InChIKey of (3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The InChIKey is HMQRZBSBDUGBRN-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H12O2/c8-6-3-5-1-2-9-7(5)4-6/h5-8H,1-4H2/t5-,6+,7+/m0/s1.
What are the key properties of (3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
(3aS,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-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,5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol is sourced from PubChem (CID 11849279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).