(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol

C7H12O3 — CID 58488562

IUPAC(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
SMILESOC1OC[C@@H]2CCC[C@@]12O
InChIInChI=1S/C7H12O3/c8-6-7(9)3-1-2-5(7)4-10-6/h5-6,8-9H,1-4H2/t5-,6?,7-/m0/s1
InChIKeyFJHMISJHDSMXIS-LOJRBXKRSA-N
MW144.17 g/mol
LogP-0.13
Rot. Bonds

About (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol

(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol (PubChem CID 58488562) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol.

Molecular Properties

Compound Name(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
PubChem CID58488562
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
SMILESOC1OC[C@@H]2CCC[C@@]12O
InChIInChI=1S/C7H12O3/c8-6-7(9)3-1-2-5(7)4-10-6/h5-6,8-9H,1-4H2/t5-,6?,7-/m0/s1
InChIKeyFJHMISJHDSMXIS-LOJRBXKRSA-N
XLogP-0.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol?
The IUPAC name of (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol (CID 58488562) is (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol.
What is the SMILES notation for (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol?
The canonical SMILES for (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol is OC1OC[C@@H]2CCC[C@@]12O.
What is the InChIKey of (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol?
The InChIKey is FJHMISJHDSMXIS-LOJRBXKRSA-N. The full InChI is InChI=1S/C7H12O3/c8-6-7(9)3-1-2-5(7)4-10-6/h5-6,8-9H,1-4H2/t5-,6?,7-/m0/s1.
What are the key properties of (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol?
(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol has a molecular weight of 144.17 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol is sourced from PubChem (CID 58488562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).