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

C8H14O3 — CID 134895263

IUPAC(3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESOCC1OC(O)[C@@H]2CCC[C@H]12
InChIInChI=1S/C8H14O3/c9-4-7-5-2-1-3-6(5)8(10)11-7/h5-10H,1-4H2/t5-,6+,7?,8?/m0/s1
InChIKeyNQBAMNJXYCVZQM-JAFIHTMFSA-N
MW158.20 g/mol
LogP0.11
Rot. Bonds1

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

(3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (PubChem CID 134895263) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name(3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
PubChem CID134895263
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESOCC1OC(O)[C@@H]2CCC[C@H]12
InChIInChI=1S/C8H14O3/c9-4-7-5-2-1-3-6(5)8(10)11-7/h5-10H,1-4H2/t5-,6+,7?,8?/m0/s1
InChIKeyNQBAMNJXYCVZQM-JAFIHTMFSA-N
XLogP0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4S,4aR,7aS)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-3,4-diol
CID 53362984
(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 15360283
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 18944235
CID 57870998
CID 57870998
(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
CID 58488562
(3aS,6aR)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
CID 58488564
(3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol
CID 58620309
[3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol
CID 67191748
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol
CID 67191749
1,3,4,4a,5,6,7,7a-Octahydrocyclopenta[c]pyran-1,4-diol
CID 70651616
1-(Hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol
CID 88997765
(3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 89221013

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The IUPAC name of (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (CID 134895263) is (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.
What is the SMILES notation for (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The canonical SMILES for (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is OCC1OC(O)[C@@H]2CCC[C@H]12.
What is the InChIKey of (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The InChIKey is NQBAMNJXYCVZQM-JAFIHTMFSA-N. The full InChI is InChI=1S/C8H14O3/c9-4-7-5-2-1-3-6(5)8(10)11-7/h5-10H,1-4H2/t5-,6+,7?,8?/m0/s1.
What are the key properties of (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
(3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is sourced from PubChem (CID 134895263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).