dipropan-2-yl 2-methoxybutanedioate

C11H20O5 — CID 139989231

IUPACdipropan-2-yl 2-methoxybutanedioate
SMILESCOC(CC(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C11H20O5/c1-7(2)15-10(12)6-9(14-5)11(13)16-8(3)4/h7-9H,6H2,1-5H3
InChIKeyVJPPEIPXYFLXKU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.29
Rot. Bonds6

About dipropan-2-yl 2-methoxybutanedioate

dipropan-2-yl 2-methoxybutanedioate (PubChem CID 139989231) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is dipropan-2-yl 2-methoxybutanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-methoxybutanedioate
PubChem CID139989231
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namedipropan-2-yl 2-methoxybutanedioate
SMILESCOC(CC(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C11H20O5/c1-7(2)15-10(12)6-9(14-5)11(13)16-8(3)4/h7-9H,6H2,1-5H3
InChIKeyVJPPEIPXYFLXKU-UHFFFAOYSA-N
XLogP1.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxyethyl)-4-oxo-4-propan-2-yloxybutanoic acid
CID 118686479
dipropan-2-yl 2-(trifluoromethyl)butanedioate
CID 23241115
4-O-tert-butyl 1-O-methyl 2-methoxybutanedioate;3,5-dimethoxy-5-oxopentanoic acid;dimethyl 3-methoxypentanedioate;4-O-ethyl 1-O-methyl 2-methoxybutanedioate;1-O-ethyl 5-O-methyl 3-methoxypentanedioate;1-O-methyl 4-O-propan-2-yl 2-methoxybutanedioate;1-O-methyl 5-O-propan-2-yl 3-methoxypentanedioate
CID 158458890
dipropan-2-yl (2S)-2-isocyanatobutanedioate
CID 131850543
propan-2-yl 4,4,4-trichloro-3-methylbutanoate
CID 134975622
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
1-O-ethyl 4-O-propan-2-yl 2-propan-2-ylbutanedioate
CID 174674506
2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate
CID 167651922
propan-2-yl 2,3-diaminopropanoate
CID 141295176
propan-2-yl 3-hydroxy-4-iodobutanoate
CID 54548727
propan-2-yl (3S)-4-bromo-3-hydroxybutanoate
CID 141383142

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-methoxybutanedioate?
The IUPAC name of dipropan-2-yl 2-methoxybutanedioate (CID 139989231) is dipropan-2-yl 2-methoxybutanedioate.
What is the SMILES notation for dipropan-2-yl 2-methoxybutanedioate?
The canonical SMILES for dipropan-2-yl 2-methoxybutanedioate is COC(CC(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-methoxybutanedioate?
The InChIKey is VJPPEIPXYFLXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-7(2)15-10(12)6-9(14-5)11(13)16-8(3)4/h7-9H,6H2,1-5H3.
What are the key properties of dipropan-2-yl 2-methoxybutanedioate?
dipropan-2-yl 2-methoxybutanedioate has a molecular weight of 232.28 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-methoxybutanedioate is sourced from PubChem (CID 139989231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).