[(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol

C8H16O3 — CID 59278883

IUPAC[(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@@](C)(CO)[C@@H](CO)O1
InChIInChI=1S/C8H16O3/c1-6-3-8(2,5-10)7(4-9)11-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyJGBBYUMCTIBNHV-RNJXMRFFSA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds2

About [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol

[(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol (PubChem CID 59278883) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol
PubChem CID59278883
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@@](C)(CO)[C@@H](CO)O1
InChIInChI=1S/C8H16O3/c1-6-3-8(2,5-10)7(4-9)11-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyJGBBYUMCTIBNHV-RNJXMRFFSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol (CID 59278883) is [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol is C[C@H]1C[C@@](C)(CO)[C@@H](CO)O1.
What is the InChIKey of [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol?
The InChIKey is JGBBYUMCTIBNHV-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H16O3/c1-6-3-8(2,5-10)7(4-9)11-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1.
What are the key properties of [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol?
[(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol has a molecular weight of 160.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5S)-3-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]methanol is sourced from PubChem (CID 59278883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).