ethane;2-(hydroxymethyl)oxolane-3,4-diol

C7H16O4 — CID 168985261

IUPACethane;2-(hydroxymethyl)oxolane-3,4-diol
SMILESCC.OCC1OCC(O)C1O
InChIInChI=1S/C5H10O4.C2H6/c6-1-4-5(8)3(7)2-9-4;1-2/h3-8H,1-2H2;1-2H3
InChIKeyPCHUEAOZMVYCJK-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.87
Rot. Bonds1

About ethane;2-(hydroxymethyl)oxolane-3,4-diol

ethane;2-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 168985261) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is ethane;2-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Nameethane;2-(hydroxymethyl)oxolane-3,4-diol
PubChem CID168985261
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Nameethane;2-(hydroxymethyl)oxolane-3,4-diol
SMILESCC.OCC1OCC(O)C1O
InChIInChI=1S/C5H10O4.C2H6/c6-1-4-5(8)3(7)2-9-4;1-2/h3-8H,1-2H2;1-2H3
InChIKeyPCHUEAOZMVYCJK-UHFFFAOYSA-N
XLogP-0.87
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
CID 173247961
(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
CID 166946041
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
(3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
CID 56626318
(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol
CID 131000812
(2S,3S,4R)-2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 157122722
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 20732647

Frequently Asked Questions

What is the IUPAC name of ethane;2-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of ethane;2-(hydroxymethyl)oxolane-3,4-diol (CID 168985261) is ethane;2-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for ethane;2-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for ethane;2-(hydroxymethyl)oxolane-3,4-diol is CC.OCC1OCC(O)C1O.
What is the InChIKey of ethane;2-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is PCHUEAOZMVYCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4.C2H6/c6-1-4-5(8)3(7)2-9-4;1-2/h3-8H,1-2H2;1-2H3.
What are the key properties of ethane;2-(hydroxymethyl)oxolane-3,4-diol?
ethane;2-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 164.20 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 168985261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).