2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol

C12H26O6 — CID 90874166

IUPAC2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol
SMILESCOC(C)(C)OC.C[C@H]1CO[C@H]([C@H](O)CO)[C@@H]1O
InChIInChI=1S/C7H14O4.C5H12O2/c1-4-3-11-7(6(4)10)5(9)2-8;1-5(2,6-3)7-4/h4-10H,2-3H2,1H3;1-4H3/t4-,5+,6+,7+;/m0./s1
InChIKeyMGQYAVMOJIHJIP-LJTMIZJLSA-N
MW266.33 g/mol
LogP-0.25
Rot. Bonds4

About 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol

2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol (PubChem CID 90874166) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol
PubChem CID90874166
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol
SMILESCOC(C)(C)OC.C[C@H]1CO[C@H]([C@H](O)CO)[C@@H]1O
InChIInChI=1S/C7H14O4.C5H12O2/c1-4-3-11-7(6(4)10)5(9)2-8;1-5(2,6-3)7-4/h4-10H,2-3H2,1H3;1-4H3/t4-,5+,6+,7+;/m0./s1
InChIKeyMGQYAVMOJIHJIP-LJTMIZJLSA-N
XLogP-0.25
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol?
The IUPAC name of 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol (CID 90874166) is 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol is COC(C)(C)OC.C[C@H]1CO[C@H]([C@H](O)CO)[C@@H]1O.
What is the InChIKey of 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol?
The InChIKey is MGQYAVMOJIHJIP-LJTMIZJLSA-N. The full InChI is InChI=1S/C7H14O4.C5H12O2/c1-4-3-11-7(6(4)10)5(9)2-8;1-5(2,6-3)7-4/h4-10H,2-3H2,1H3;1-4H3/t4-,5+,6+,7+;/m0./s1.
What are the key properties of 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol?
2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol has a molecular weight of 266.33 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 90874166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).