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

C8H14O3 — CID 53465921

IUPAC(3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
SMILESCO[C@@H]1CO[C@@H]2C[C@H](O)C[C@H]12
InChIInChI=1S/C8H14O3/c1-10-8-4-11-7-3-5(9)2-6(7)8/h5-9H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1
InChIKeyWBXCGIGADAMULK-ULAWRXDQSA-N
MW158.20 g/mol
LogP0.17
Rot. Bonds1

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

(3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol (PubChem CID 53465921) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol.

Molecular Properties

Compound Name(3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
PubChem CID53465921
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
SMILESCO[C@@H]1CO[C@@H]2C[C@H](O)C[C@H]12
InChIInChI=1S/C8H14O3/c1-10-8-4-11-7-3-5(9)2-6(7)8/h5-9H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1
InChIKeyWBXCGIGADAMULK-ULAWRXDQSA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The IUPAC name of (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol (CID 53465921) is (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol.
What is the SMILES notation for (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The canonical SMILES for (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol is CO[C@@H]1CO[C@@H]2C[C@H](O)C[C@H]12.
What is the InChIKey of (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The InChIKey is WBXCGIGADAMULK-ULAWRXDQSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-8-4-11-7-3-5(9)2-6(7)8/h5-9H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1.
What are the key properties of (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
(3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol has a molecular weight of 158.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol is sourced from PubChem (CID 53465921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).