[(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol

C9H14O3 — CID 101260548

IUPAC[(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol
SMILESOCC1=CC[C@@H]2CCO[C@]12CO
InChIInChI=1S/C9H14O3/c10-5-8-2-1-7-3-4-12-9(7,8)6-11/h2,7,10-11H,1,3-6H2/t7-,9+/m1/s1
InChIKeyNRDLACVHWVNTTO-APPZFPTMSA-N
MW170.21 g/mol
LogP0.08
Rot. Bonds2

About [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol

[(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol (PubChem CID 101260548) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol.

Molecular Properties

Compound Name[(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol
PubChem CID101260548
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name[(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol
SMILESOCC1=CC[C@@H]2CCO[C@]12CO
InChIInChI=1S/C9H14O3/c10-5-8-2-1-7-3-4-12-9(7,8)6-11/h2,7,10-11H,1,3-6H2/t7-,9+/m1/s1
InChIKeyNRDLACVHWVNTTO-APPZFPTMSA-N
XLogP0.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol with MolForge

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Related Compounds

((3Ar,4S,6Ar)-3,3A,4,6A-Tetrahydro-2H-Cyclopenta(B)Furan-4,5-Diyl)Dimethanol
CID 11084315
Jatamanin K
CID 46211184
[5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
CID 14190908
(3aS,4R,6aS)-6,6a-bis(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-4-ol
CID 10797629
[6a-(Hydroxymethyl)-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6-yl]methanol
CID 75149777
(3,6-Dimethyl-2,3,3a,4-tetrahydrocyclopenta[b]furan-6a-yl)methanol
CID 5319301
(3aS,4S,6aS)-6,6a-bis(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-4-ol
CID 154496464
(3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol
CID 134952255
[(3aS,4R,6aS)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
CID 101625375
(2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
CID 58231579
[3-(Hydroxymethyl)-2-oxabicyclo[2.2.1]hept-5-en-3-yl]methanol
CID 66874264
1,3a,4a,5,8,8a-Hexahydrocyclopenta[b][1]benzofuran-1,8b-diol
CID 68055771

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol?
The IUPAC name of [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol (CID 101260548) is [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol.
What is the SMILES notation for [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol?
The canonical SMILES for [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol is OCC1=CC[C@@H]2CCO[C@]12CO.
What is the InChIKey of [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol?
The InChIKey is NRDLACVHWVNTTO-APPZFPTMSA-N. The full InChI is InChI=1S/C9H14O3/c10-5-8-2-1-7-3-4-12-9(7,8)6-11/h2,7,10-11H,1,3-6H2/t7-,9+/m1/s1.
What are the key properties of [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol?
[(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol has a molecular weight of 170.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol is sourced from PubChem (CID 101260548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).