1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate

C10H18O5 — CID 155641970

IUPAC1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
SMILESCOC(=O)C(C)C(C)C(=O)OCC(C)O
InChIInChI=1S/C10H18O5/c1-6(11)5-15-10(13)8(3)7(2)9(12)14-4/h6-8,11H,5H2,1-4H3
InChIKeyBYGZDIVRNKKFJF-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.36
Rot. Bonds5

About 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate

1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate (PubChem CID 155641970) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate.

Molecular Properties

Compound Name1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
PubChem CID155641970
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
SMILESCOC(=O)C(C)C(C)C(=O)OCC(C)O
InChIInChI=1S/C10H18O5/c1-6(11)5-15-10(13)8(3)7(2)9(12)14-4/h6-8,11H,5H2,1-4H3
InChIKeyBYGZDIVRNKKFJF-UHFFFAOYSA-N
XLogP0.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
(2S,3S)-4-methoxy-2,3-dimethyl-4-oxobutanoic acid
CID 92983233
methyl (2S,3R)-4-chloro-2,3-dimethyl-4-oxobutanoate
CID 131844171
2-hydroxypropyl acetate;mercury
CID 174858394
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
3-(2-hydroxypropoxy)-3-oxopropanoic acid
CID 58952816
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
2-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 66039301
2-hydroxypropyl acetate;methoxyperoxymethane
CID 87580480
methyl (2R,3R)-3-hydroxy-2-methylhexanoate
CID 12755434
3-hydroxy-5-methoxy-4-methyl-5-oxopentanoic acid
CID 88655903

Frequently Asked Questions

What is the IUPAC name of 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate?
The IUPAC name of 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate (CID 155641970) is 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate.
What is the SMILES notation for 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate?
The canonical SMILES for 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate is COC(=O)C(C)C(C)C(=O)OCC(C)O.
What is the InChIKey of 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate?
The InChIKey is BYGZDIVRNKKFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(11)5-15-10(13)8(3)7(2)9(12)14-4/h6-8,11H,5H2,1-4H3.
What are the key properties of 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate?
1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate has a molecular weight of 218.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate is sourced from PubChem (CID 155641970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).