dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate

C11H20O5 — CID 103023222

IUPACdimethyl 2-(3-methoxy-3-methylbutyl)propanedioate
SMILESCOC(=O)C(CCC(C)(C)OC)C(=O)OC
InChIInChI=1S/C11H20O5/c1-11(2,16-5)7-6-8(9(12)14-3)10(13)15-4/h8H,6-7H2,1-5H3
InChIKeySIJHAGIERFITBW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.15
Rot. Bonds6

About dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate

dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate (PubChem CID 103023222) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(3-methoxy-3-methylbutyl)propanedioate
PubChem CID103023222
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namedimethyl 2-(3-methoxy-3-methylbutyl)propanedioate
SMILESCOC(=O)C(CCC(C)(C)OC)C(=O)OC
InChIInChI=1S/C11H20O5/c1-11(2,16-5)7-6-8(9(12)14-3)10(13)15-4/h8H,6-7H2,1-5H3
InChIKeySIJHAGIERFITBW-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239
methyl 2-acetyl-5,5-dimethylhexanoate
CID 18370318
dimethyl 2-(3,3,4,4,4-pentafluorobutyl)propanedioate
CID 139808891
tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
CID 103972473
ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351
methyl 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentanoate
CID 103033254
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
methyl 4-(3-methoxy-3-methylbutoxy)-2-(methylamino)butanoate
CID 106666689
dimethyl 2-(3-methylbutyl)propanedioate
CID 12885826
(6-methoxy-2,2,6-trimethylheptan-3-yl)hydrazine
CID 103026262

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate?
The IUPAC name of dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate (CID 103023222) is dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate.
What is the SMILES notation for dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate?
The canonical SMILES for dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate is COC(=O)C(CCC(C)(C)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate?
The InChIKey is SIJHAGIERFITBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-11(2,16-5)7-6-8(9(12)14-3)10(13)15-4/h8H,6-7H2,1-5H3.
What are the key properties of dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate?
dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate has a molecular weight of 232.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate is sourced from PubChem (CID 103023222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).