dipropan-2-yl 2-hydroxy-2-methylbutanedioate

C11H20O5 — CID 87505612

IUPACdipropan-2-yl 2-hydroxy-2-methylbutanedioate
SMILESCC(C)OC(=O)CC(C)(O)C(=O)OC(C)C
InChIInChI=1S/C11H20O5/c1-7(2)15-9(12)6-11(5,14)10(13)16-8(3)4/h7-8,14H,6H2,1-5H3
InChIKeyYMUFXHZJGZCQPX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.03
Rot. Bonds5

About dipropan-2-yl 2-hydroxy-2-methylbutanedioate

dipropan-2-yl 2-hydroxy-2-methylbutanedioate (PubChem CID 87505612) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is dipropan-2-yl 2-hydroxy-2-methylbutanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-hydroxy-2-methylbutanedioate
PubChem CID87505612
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namedipropan-2-yl 2-hydroxy-2-methylbutanedioate
SMILESCC(C)OC(=O)CC(C)(O)C(=O)OC(C)C
InChIInChI=1S/C11H20O5/c1-7(2)15-9(12)6-11(5,14)10(13)16-8(3)4/h7-8,14H,6H2,1-5H3
InChIKeyYMUFXHZJGZCQPX-UHFFFAOYSA-N
XLogP1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dipropan-2-yl 2,2-difluorobutanedioate
CID 146671744
tripropan-2-yl 2-hydroperoxypropane-1,2,3-tricarboxylate
CID 87504133
dipropan-2-yl 2-(hydroxymethyl)-2-nitrobutanedioate
CID 121221515
diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
propan-2-yl 2,2-dichloro-3-methylbutanoate
CID 57232967
dipropan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989252
2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate
CID 159782312
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
propan-2-yl 2-methyl-2-propylpentanoate
CID 118411405
propan-2-yl 2,2,2-tribromoacetate
CID 6432844
propan-2-yl 2-amino-2-sulfanylpropanoate
CID 123998994
propan-2-yl 2-amino-2,3-dimethylbutanoate
CID 18780772

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-hydroxy-2-methylbutanedioate?
The IUPAC name of dipropan-2-yl 2-hydroxy-2-methylbutanedioate (CID 87505612) is dipropan-2-yl 2-hydroxy-2-methylbutanedioate.
What is the SMILES notation for dipropan-2-yl 2-hydroxy-2-methylbutanedioate?
The canonical SMILES for dipropan-2-yl 2-hydroxy-2-methylbutanedioate is CC(C)OC(=O)CC(C)(O)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-hydroxy-2-methylbutanedioate?
The InChIKey is YMUFXHZJGZCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-7(2)15-9(12)6-11(5,14)10(13)16-8(3)4/h7-8,14H,6H2,1-5H3.
What are the key properties of dipropan-2-yl 2-hydroxy-2-methylbutanedioate?
dipropan-2-yl 2-hydroxy-2-methylbutanedioate has a molecular weight of 232.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-hydroxy-2-methylbutanedioate is sourced from PubChem (CID 87505612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).