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

C7H12O2 — CID 10877139

IUPAC(3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESO[C@@H]1OC[C@H]2CCC[C@H]21
InChIInChI=1S/C7H12O2/c8-7-6-3-1-2-5(6)4-9-7/h5-8H,1-4H2/t5-,6-,7-/m1/s1
InChIKeyYMPFQXIMSUXNDC-FSDSQADBSA-N
MW128.17 g/mol
LogP0.75
Rot. Bonds

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

(3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (PubChem CID 10877139) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
PubChem CID10877139
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESO[C@@H]1OC[C@H]2CCC[C@H]21
InChIInChI=1S/C7H12O2/c8-7-6-3-1-2-5(6)4-9-7/h5-8H,1-4H2/t5-,6-,7-/m1/s1
InChIKeyYMPFQXIMSUXNDC-FSDSQADBSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The IUPAC name of (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (CID 10877139) is (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.
What is the SMILES notation for (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The canonical SMILES for (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is O[C@@H]1OC[C@H]2CCC[C@H]21.
What is the InChIKey of (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The InChIKey is YMPFQXIMSUXNDC-FSDSQADBSA-N. The full InChI is InChI=1S/C7H12O2/c8-7-6-3-1-2-5(6)4-9-7/h5-8H,1-4H2/t5-,6-,7-/m1/s1.
What are the key properties of (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
(3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is sourced from PubChem (CID 10877139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).