2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one

C10H20O5 — CID 164881798

IUPAC2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one
SMILESCOC(C)(C)OC.O=C1CCC(CO)O1
InChIInChI=1S/C5H8O3.C5H12O2/c6-3-4-1-2-5(7)8-4;1-5(2,6-3)7-4/h4,6H,1-3H2;1-4H3
InChIKeyHXJVTEKRMVNJPJ-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.70
Rot. Bonds3

About 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one

2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one (PubChem CID 164881798) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one
PubChem CID164881798
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one
SMILESCOC(C)(C)OC.O=C1CCC(CO)O1
InChIInChI=1S/C5H8O3.C5H12O2/c6-3-4-1-2-5(7)8-4;1-5(2,6-3)7-4/h4,6H,1-3H2;1-4H3
InChIKeyHXJVTEKRMVNJPJ-UHFFFAOYSA-N
XLogP0.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
5-(hydroxymethyl)oxolan-2-one
CID 158931038
(5R)-5-[(2R)-3-hydroxy-2-methoxypropyl]oxolan-2-one
CID 23238602
(1E)-1-[(5R)-5-(hydroxymethyl)oxolan-2-ylidene]-3,3-dimethylbutan-2-one
CID 101026478
(5S)-5-(sulfanylmethyl)oxolan-2-one
CID 59949087
(5-oxooxolan-2-yl) 2-iodo-2-methylbutanoate
CID 138474302
4-O-tert-butyl 1-O-[(5-oxooxolan-2-yl)methyl] (E)-but-2-enedioate
CID 122487311
N-[(5-oxooxolan-2-yl)methyl]acetamide
CID 533856
(5R)-5-butyloxolan-2-one
CID 7057971
ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate
CID 13482645
(2S)-2-(hydroxymethyl)-2,3,4,6,7,8-hexahydrochromen-5-one
CID 11458059
(5S)-5-(2-hydroxypropan-2-yl)oxolan-2-one
CID 12872230

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one (CID 164881798) is 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one is COC(C)(C)OC.O=C1CCC(CO)O1.
What is the InChIKey of 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one?
The InChIKey is HXJVTEKRMVNJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C5H12O2/c6-3-4-1-2-5(7)8-4;1-5(2,6-3)7-4/h4,6H,1-3H2;1-4H3.
What are the key properties of 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one?
2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one has a molecular weight of 220.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 164881798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).