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

C9H20O3 — CID 155596036

IUPACethane;2-(hydroxymethyl)-5-methyloxan-4-ol
SMILESCC.CC1COC(CO)CC1O
InChIInChI=1S/C7H14O3.C2H6/c1-5-4-10-6(3-8)2-7(5)9;1-2/h5-9H,2-4H2,1H3;1-2H3
InChIKeyAWMYDTJGYNGEEL-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.79
Rot. Bonds1

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

ethane;2-(hydroxymethyl)-5-methyloxan-4-ol (PubChem CID 155596036) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;2-(hydroxymethyl)-5-methyloxan-4-ol.

Molecular Properties

Compound Nameethane;2-(hydroxymethyl)-5-methyloxan-4-ol
PubChem CID155596036
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Nameethane;2-(hydroxymethyl)-5-methyloxan-4-ol
SMILESCC.CC1COC(CO)CC1O
InChIInChI=1S/C7H14O3.C2H6/c1-5-4-10-6(3-8)2-7(5)9;1-2/h5-9H,2-4H2,1H3;1-2H3
InChIKeyAWMYDTJGYNGEEL-UHFFFAOYSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-5-methyloxan-4-ol
CID 144823252
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
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
[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
ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane
CID 157191090
(4-propyloxolan-2-yl)methanol
CID 130129945
[(4S)-4-propyloxolan-2-yl]methanol
CID 145357706
(4R)-6-ethyloxane-3,4-diol
CID 90277867

Frequently Asked Questions

What is the IUPAC name of ethane;2-(hydroxymethyl)-5-methyloxan-4-ol?
The IUPAC name of ethane;2-(hydroxymethyl)-5-methyloxan-4-ol (CID 155596036) is ethane;2-(hydroxymethyl)-5-methyloxan-4-ol.
What is the SMILES notation for ethane;2-(hydroxymethyl)-5-methyloxan-4-ol?
The canonical SMILES for ethane;2-(hydroxymethyl)-5-methyloxan-4-ol is CC.CC1COC(CO)CC1O.
What is the InChIKey of ethane;2-(hydroxymethyl)-5-methyloxan-4-ol?
The InChIKey is AWMYDTJGYNGEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C2H6/c1-5-4-10-6(3-8)2-7(5)9;1-2/h5-9H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-(hydroxymethyl)-5-methyloxan-4-ol?
ethane;2-(hydroxymethyl)-5-methyloxan-4-ol has a molecular weight of 176.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(hydroxymethyl)-5-methyloxan-4-ol is sourced from PubChem (CID 155596036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).