(1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol

C8H14O3 — CID 130842948

IUPAC(1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
SMILESOC[C@H]1C[C@H](O)[C@@H]2C[C@H]1CO2
InChIInChI=1S/C8H14O3/c9-3-5-1-7(10)8-2-6(5)4-11-8/h5-10H,1-4H2/t5-,6+,7+,8+/m1/s1
InChIKeyAFEYTSYVSVAZGM-KVPKETBZSA-N
MW158.20 g/mol
LogP-0.24
Rot. Bonds1

About (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol

(1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol (PubChem CID 130842948) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name(1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
PubChem CID130842948
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
SMILESOC[C@H]1C[C@H](O)[C@@H]2C[C@H]1CO2
InChIInChI=1S/C8H14O3/c9-3-5-1-7(10)8-2-6(5)4-11-8/h5-10H,1-4H2/t5-,6+,7+,8+/m1/s1
InChIKeyAFEYTSYVSVAZGM-KVPKETBZSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol (CID 130842948) is (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol is OC[C@H]1C[C@H](O)[C@@H]2C[C@H]1CO2.
What is the InChIKey of (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol?
The InChIKey is AFEYTSYVSVAZGM-KVPKETBZSA-N. The full InChI is InChI=1S/C8H14O3/c9-3-5-1-7(10)8-2-6(5)4-11-8/h5-10H,1-4H2/t5-,6+,7+,8+/m1/s1.
What are the key properties of (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol?
(1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol has a molecular weight of 158.20 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 130842948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).