2-(2-hydroxyethyl)oxan-4-ol

C7H14O3 — CID 123437591

IUPAC2-(2-hydroxyethyl)oxan-4-ol
SMILESOCCC1CC(O)CCO1
InChIInChI=1S/C7H14O3/c8-3-1-7-5-6(9)2-4-10-7/h6-9H,1-5H2
InChIKeyJQIBSWVGBJWGSH-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds2

About 2-(2-hydroxyethyl)oxan-4-ol

2-(2-hydroxyethyl)oxan-4-ol (PubChem CID 123437591) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)oxan-4-ol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)oxan-4-ol
PubChem CID123437591
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(2-hydroxyethyl)oxan-4-ol
SMILESOCCC1CC(O)CCO1
InChIInChI=1S/C7H14O3/c8-3-1-7-5-6(9)2-4-10-7/h6-9H,1-5H2
InChIKeyJQIBSWVGBJWGSH-UHFFFAOYSA-N
XLogP-0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3,3-trifluoropropyl)oxan-4-ol
CID 123196737
butane;2-ethyloxan-4-ol
CID 156818442
7-(hydroxymethyl)oxepan-4-ol
CID 123972683
2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol
CID 144945979
methanol;2-(2-sulfanylpropyl)oxan-4-ol
CID 145297955
[(2R)-4-hydroxyoxan-2-yl]methyl sulfate
CID 59456784
ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
CID 145018788
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol
CID 145311557

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)oxan-4-ol?
The IUPAC name of 2-(2-hydroxyethyl)oxan-4-ol (CID 123437591) is 2-(2-hydroxyethyl)oxan-4-ol.
What is the SMILES notation for 2-(2-hydroxyethyl)oxan-4-ol?
The canonical SMILES for 2-(2-hydroxyethyl)oxan-4-ol is OCCC1CC(O)CCO1.
What is the InChIKey of 2-(2-hydroxyethyl)oxan-4-ol?
The InChIKey is JQIBSWVGBJWGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-3-1-7-5-6(9)2-4-10-7/h6-9H,1-5H2.
What are the key properties of 2-(2-hydroxyethyl)oxan-4-ol?
2-(2-hydroxyethyl)oxan-4-ol has a molecular weight of 146.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)oxan-4-ol is sourced from PubChem (CID 123437591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).