2-(hydroxymethyl)-5-methyloxan-4-ol

C7H14O3 — CID 144823252

IUPAC2-(hydroxymethyl)-5-methyloxan-4-ol
SMILESCC1COC(CO)CC1O
InChIInChI=1S/C7H14O3/c1-5-4-10-6(3-8)2-7(5)9/h5-9H,2-4H2,1H3
InChIKeyXDBMNXQGYOLTLK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.24
Rot. Bonds1

About 2-(hydroxymethyl)-5-methyloxan-4-ol

2-(hydroxymethyl)-5-methyloxan-4-ol (PubChem CID 144823252) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methyloxan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methyloxan-4-ol
PubChem CID144823252
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(hydroxymethyl)-5-methyloxan-4-ol
SMILESCC1COC(CO)CC1O
InChIInChI=1S/C7H14O3/c1-5-4-10-6(3-8)2-7(5)9/h5-9H,2-4H2,1H3
InChIKeyXDBMNXQGYOLTLK-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(hydroxymethyl)-5-methyloxan-4-ol
CID 155596036
6-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144823198
(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol
CID 89129444
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
[5-(hydroxymethyl)oxolan-3-yl]methanol
CID 70581939
[(2S,4S)-4-ethyloxolan-2-yl]methanol
CID 124585151
6-(hydroxymethyl)-5-methyloxan-3-ol
CID 123248394
(4-propyloxolan-2-yl)methanol
CID 130129945
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
[(4S)-4-propyloxolan-2-yl]methanol
CID 145357706
(4R)-6-ethyloxane-3,4-diol
CID 90277867
oxiran-2-ylmethanol;propane
CID 91466926

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methyloxan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-5-methyloxan-4-ol (CID 144823252) is 2-(hydroxymethyl)-5-methyloxan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-methyloxan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-methyloxan-4-ol is CC1COC(CO)CC1O.
What is the InChIKey of 2-(hydroxymethyl)-5-methyloxan-4-ol?
The InChIKey is XDBMNXQGYOLTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-4-10-6(3-8)2-7(5)9/h5-9H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-methyloxan-4-ol?
2-(hydroxymethyl)-5-methyloxan-4-ol has a molecular weight of 146.19 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 2-(hydroxymethyl)-5-methyloxan-4-ol is sourced from PubChem (CID 144823252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).