6-(hydroxymethyl)-5-methyloxan-3-ol

C7H14O3 — CID 123248394

IUPAC6-(hydroxymethyl)-5-methyloxan-3-ol
SMILESCC1CC(O)COC1CO
InChIInChI=1S/C7H14O3/c1-5-2-6(9)4-10-7(5)3-8/h5-9H,2-4H2,1H3
InChIKeyKXQRLTNXSYTUMX-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.24
Rot. Bonds1

About 6-(hydroxymethyl)-5-methyloxan-3-ol

6-(hydroxymethyl)-5-methyloxan-3-ol (PubChem CID 123248394) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-methyloxan-3-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-methyloxan-3-ol
PubChem CID123248394
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name6-(hydroxymethyl)-5-methyloxan-3-ol
SMILESCC1CC(O)COC1CO
InChIInChI=1S/C7H14O3/c1-5-2-6(9)4-10-7(5)3-8/h5-9H,2-4H2,1H3
InChIKeyKXQRLTNXSYTUMX-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

[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
CID 58400213
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699685
[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 130148196
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
(2S,3R,5S)-2-ethyloxane-3,5-diol
CID 148598014
2-(hydroxymethyl)-5-methyloxan-4-ol
CID 144823252
(4aS,8aS)-2-(hydroxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,7-diol
CID 137402322
[2-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562413
ethane;2-(hydroxymethyl)-5-methyloxan-4-ol
CID 155596036
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-methyloxan-3-ol?
The IUPAC name of 6-(hydroxymethyl)-5-methyloxan-3-ol (CID 123248394) is 6-(hydroxymethyl)-5-methyloxan-3-ol.
What is the SMILES notation for 6-(hydroxymethyl)-5-methyloxan-3-ol?
The canonical SMILES for 6-(hydroxymethyl)-5-methyloxan-3-ol is CC1CC(O)COC1CO.
What is the InChIKey of 6-(hydroxymethyl)-5-methyloxan-3-ol?
The InChIKey is KXQRLTNXSYTUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-2-6(9)4-10-7(5)3-8/h5-9H,2-4H2,1H3.
What are the key properties of 6-(hydroxymethyl)-5-methyloxan-3-ol?
6-(hydroxymethyl)-5-methyloxan-3-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 6-(hydroxymethyl)-5-methyloxan-3-ol is sourced from PubChem (CID 123248394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).