[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol

C8H14O3 — CID 130841928

IUPAC[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
SMILESOC[C@@H]1C[C@H]2O[C@H]2C[C@@H]1CO
InChIInChI=1S/C8H14O3/c9-3-5-1-7-8(11-7)2-6(5)4-10/h5-10H,1-4H2/t5-,6+,7+,8-
InChIKeySNFKAMATHQUJAZ-SOSBWXJGSA-N
MW158.20 g/mol
LogP-0.24
Rot. Bonds2

About [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol

[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol (PubChem CID 130841928) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
PubChem CID130841928
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
SMILESOC[C@@H]1C[C@H]2O[C@H]2C[C@@H]1CO
InChIInChI=1S/C8H14O3/c9-3-5-1-7-8(11-7)2-6(5)4-10/h5-10H,1-4H2/t5-,6+,7+,8-
InChIKeySNFKAMATHQUJAZ-SOSBWXJGSA-N
XLogP-0.24
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol with MolForge

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Related Compounds

[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 88623033
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
[(1R,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]methanol
CID 124527310
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
CID 171816838
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
2-oxabicyclo[4.2.0]octan-7-ylmethanol
CID 84716262
[(2S)-2-iodocyclopropyl]methanol
CID 122684903
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
[(1S,2S)-2-bromocyclopropyl]methanol
CID 124629911
[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]cyclopropyl]cyclopropyl]methanol
CID 10631296
[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
CID 131848681
3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
CID 23382653

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol?
The IUPAC name of [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol (CID 130841928) is [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol is OC[C@@H]1C[C@H]2O[C@H]2C[C@@H]1CO.
What is the InChIKey of [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol?
The InChIKey is SNFKAMATHQUJAZ-SOSBWXJGSA-N. The full InChI is InChI=1S/C8H14O3/c9-3-5-1-7-8(11-7)2-6(5)4-10/h5-10H,1-4H2/t5-,6+,7+,8-.
What are the key properties of [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol?
[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol is sourced from PubChem (CID 130841928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).