ethane;5-(hydroxymethyl)oxolan-2-one

C7H14O3 — CID 142985862

IUPACethane;5-(hydroxymethyl)oxolan-2-one
SMILESCC.O=C1CCC(CO)O1
InChIInChI=1S/C5H8O3.C2H6/c6-3-4-1-2-5(7)8-4;1-2/h4,6H,1-3H2;1-2H3
InChIKeyQUOHIQJJHXSZDA-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds1

About ethane;5-(hydroxymethyl)oxolan-2-one

ethane;5-(hydroxymethyl)oxolan-2-one (PubChem CID 142985862) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethane;5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Nameethane;5-(hydroxymethyl)oxolan-2-one
PubChem CID142985862
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameethane;5-(hydroxymethyl)oxolan-2-one
SMILESCC.O=C1CCC(CO)O1
InChIInChI=1S/C5H8O3.C2H6/c6-3-4-1-2-5(7)8-4;1-2/h4,6H,1-3H2;1-2H3
InChIKeyQUOHIQJJHXSZDA-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)oxolan-2-one
CID 158931038
2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one
CID 164881798
(5S)-5-(sulfanylmethyl)oxolan-2-one
CID 59949087
(5R)-5-[(2R)-3-hydroxy-2-methoxypropyl]oxolan-2-one
CID 23238602
N-[(5-oxooxolan-2-yl)methyl]acetamide
CID 533856
(5R)-5-butyloxolan-2-one
CID 7057971
acetonitrile;5-ethyloxolan-2-one
CID 174800937
ethylcyclopropane;5-ethyloxolan-2-one;methane
CID 158681141
(5S)-5-(2-methylsulfonylethyl)oxolan-2-one
CID 134163414
5-octyloxolan-2-one
CID 16821
(5S)-5-pentacosyloxolan-2-one
CID 11102176
3-(5-oxooxolan-2-yl)propanoyl chloride
CID 14084427

Frequently Asked Questions

What is the IUPAC name of ethane;5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of ethane;5-(hydroxymethyl)oxolan-2-one (CID 142985862) is ethane;5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for ethane;5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for ethane;5-(hydroxymethyl)oxolan-2-one is CC.O=C1CCC(CO)O1.
What is the InChIKey of ethane;5-(hydroxymethyl)oxolan-2-one?
The InChIKey is QUOHIQJJHXSZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C2H6/c6-3-4-1-2-5(7)8-4;1-2/h4,6H,1-3H2;1-2H3.
What are the key properties of ethane;5-(hydroxymethyl)oxolan-2-one?
ethane;5-(hydroxymethyl)oxolan-2-one has a molecular weight of 146.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 142985862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).