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

C7H12O2 — CID 139503148

IUPAC(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
SMILESOC1CO[C@H]2CCC[C@@H]12
InChIInChI=1S/C7H12O2/c8-6-4-9-7-3-1-2-5(6)7/h5-8H,1-4H2/t5-,6?,7-/m0/s1
InChIKeyYKVABCRYHKXRRJ-LOJRBXKRSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds

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

(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol (PubChem CID 139503148) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol.

Molecular Properties

Compound Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
PubChem CID139503148
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
SMILESOC1CO[C@H]2CCC[C@@H]12
InChIInChI=1S/C7H12O2/c8-6-4-9-7-3-1-2-5(6)7/h5-8H,1-4H2/t5-,6?,7-/m0/s1
InChIKeyYKVABCRYHKXRRJ-LOJRBXKRSA-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,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol (CID 139503148) is (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol.
What is the SMILES notation for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The canonical SMILES for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol is OC1CO[C@H]2CCC[C@@H]12.
What is the InChIKey of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The InChIKey is YKVABCRYHKXRRJ-LOJRBXKRSA-N. The full InChI is InChI=1S/C7H12O2/c8-6-4-9-7-3-1-2-5(6)7/h5-8H,1-4H2/t5-,6?,7-/m0/s1.
What are the key properties of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-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,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol is sourced from PubChem (CID 139503148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).