(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol

C7H12O2 — CID 14310348

IUPAC(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol
SMILESOC1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C7H12O2/c8-7-1-5-3-9-4-6(5)2-7/h5-8H,1-4H2/t5-,6+,7?
InChIKeyXNLHTIIRSQEXML-MEKDEQNOSA-N
MW128.17 g/mol
LogP0.40
Rot. Bonds

About (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol

(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol (PubChem CID 14310348) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol.

Molecular Properties

Compound Name(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol
PubChem CID14310348
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol
SMILESOC1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C7H12O2/c8-7-1-5-3-9-4-6(5)2-7/h5-8H,1-4H2/t5-,6+,7?
InChIKeyXNLHTIIRSQEXML-MEKDEQNOSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol?
The IUPAC name of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol (CID 14310348) is (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol.
What is the SMILES notation for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol?
The canonical SMILES for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol is OC1C[C@H]2COC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol?
The InChIKey is XNLHTIIRSQEXML-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H12O2/c8-7-1-5-3-9-4-6(5)2-7/h5-8H,1-4H2/t5-,6+,7?.
What are the key properties of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol?
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol has a molecular weight of 128.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ol is sourced from PubChem (CID 14310348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).