[(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol

C9H14O3 — CID 11084315

IUPAC[(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
SMILESOCC1=C[C@@H]2OCC[C@@H]2[C@@H]1CO
InChIInChI=1S/C9H14O3/c10-4-6-3-9-7(1-2-12-9)8(6)5-11/h3,7-11H,1-2,4-5H2/t7-,8-,9+/m1/s1
InChIKeyQCZMBBWKHAYATJ-HLTSFMKQSA-N
MW170.21 g/mol
LogP-0.07
Rot. Bonds2

About [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol

[(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol (PubChem CID 11084315) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol.

Molecular Properties

Compound Name[(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
PubChem CID11084315
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name[(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
SMILESOCC1=C[C@@H]2OCC[C@@H]2[C@@H]1CO
InChIInChI=1S/C9H14O3/c10-4-6-3-9-7(1-2-12-9)8(6)5-11/h3,7-11H,1-2,4-5H2/t7-,8-,9+/m1/s1
InChIKeyQCZMBBWKHAYATJ-HLTSFMKQSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol with MolForge

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Related Compounds

Jatamanin K
CID 46211184
[(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol
CID 10535100
[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
(4aR,5S,7aS)-7-(hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol
CID 101260547
[6a-(Hydroxymethyl)-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6-yl]methanol
CID 75149777
(3aS,4S,6aS)-6,6a-bis(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-4-ol
CID 154496464
[(3aS,4R,6aS)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
CID 101625375
[(3aR,6aS)-6a-(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-6-yl]methanol
CID 101260548
7-(Hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol
CID 14413449
2-(7-Oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol
CID 20731266
2-Oxabicyclo[2.2.1]hept-5-en-5-ylmethanol
CID 22020044

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol?
The IUPAC name of [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol (CID 11084315) is [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol.
What is the SMILES notation for [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol?
The canonical SMILES for [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol is OCC1=C[C@@H]2OCC[C@@H]2[C@@H]1CO.
What is the InChIKey of [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol?
The InChIKey is QCZMBBWKHAYATJ-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H14O3/c10-4-6-3-9-7(1-2-12-9)8(6)5-11/h3,7-11H,1-2,4-5H2/t7-,8-,9+/m1/s1.
What are the key properties of [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol?
[(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol has a molecular weight of 170.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol is sourced from PubChem (CID 11084315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).