2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol

C7H14O3 — CID 177060045

IUPAC2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
SMILESCC1CC(C)C(O)(CO)O1
InChIInChI=1S/C7H14O3/c1-5-3-6(2)10-7(5,9)4-8/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPPSHSHRWPYGGDY-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.11
Rot. Bonds1

About 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol

2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol (PubChem CID 177060045) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
PubChem CID177060045
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
SMILESCC1CC(C)C(O)(CO)O1
InChIInChI=1S/C7H14O3/c1-5-3-6(2)10-7(5,9)4-8/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPPSHSHRWPYGGDY-UHFFFAOYSA-N
XLogP0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-ethyl-5-methyloxolane-2,3-diol
CID 177060039
[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol
CID 131106641
CID 88572243
CID 88572243
2,3-bis(hydroxymethyl)oxiran-2-ol
CID 141376073
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol
CID 91376036
(4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol
CID 118362949
[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate
CID 135053951
(2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90897969
2-(hydroxymethyl)oxane-2,3,5-triol
CID 91319547
5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane
CID 177060046
methyl 2-[(2R,3R,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolan-2-yl]acetate
CID 70795420

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol?
The IUPAC name of 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol (CID 177060045) is 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol is CC1CC(C)C(O)(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol?
The InChIKey is PPSHSHRWPYGGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-3-6(2)10-7(5,9)4-8/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol?
2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol is sourced from PubChem (CID 177060045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).