dimethyl butanedioate;2-methylbutan-2-ol

C11H22O5 — CID 174977208

IUPACdimethyl butanedioate;2-methylbutan-2-ol
SMILESCCC(C)(C)O.COC(=O)CCC(=O)OC
InChIInChI=1S/C6H10O4.C5H12O/c1-9-5(7)3-4-6(8)10-2;1-4-5(2,3)6/h3-4H2,1-2H3;6H,4H2,1-3H3
InChIKeyPEHTZFVIAUGPCG-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.28
Rot. Bonds4

About dimethyl butanedioate;2-methylbutan-2-ol

dimethyl butanedioate;2-methylbutan-2-ol (PubChem CID 174977208) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is dimethyl butanedioate;2-methylbutan-2-ol.

Molecular Properties

Compound Namedimethyl butanedioate;2-methylbutan-2-ol
PubChem CID174977208
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namedimethyl butanedioate;2-methylbutan-2-ol
SMILESCCC(C)(C)O.COC(=O)CCC(=O)OC
InChIInChI=1S/C6H10O4.C5H12O/c1-9-5(7)3-4-6(8)10-2;1-4-5(2,3)6/h3-4H2,1-2H3;6H,4H2,1-3H3
InChIKeyPEHTZFVIAUGPCG-UHFFFAOYSA-N
XLogP1.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6,6-dimethyl-4-oxoheptanoate
CID 13350540
methyl 5,5-dihydroxyheptanoate
CID 174405029
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
4-O-ethyl 1-O-methyl butanedioate
CID 522068
azane;methyl 5,5-dimethylheptanoate
CID 174428113
methyl 3-[(3-hydroxy-3-methylbutyl)amino]propanoate
CID 79360276
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
methyl 3,3-dimethylpentanoate
CID 3757207
methyl 4-hydroxy-4-hydroxysulfanylpentanoate
CID 137414269
CID 171374935
CID 171374935

Frequently Asked Questions

What is the IUPAC name of dimethyl butanedioate;2-methylbutan-2-ol?
The IUPAC name of dimethyl butanedioate;2-methylbutan-2-ol (CID 174977208) is dimethyl butanedioate;2-methylbutan-2-ol.
What is the SMILES notation for dimethyl butanedioate;2-methylbutan-2-ol?
The canonical SMILES for dimethyl butanedioate;2-methylbutan-2-ol is CCC(C)(C)O.COC(=O)CCC(=O)OC.
What is the InChIKey of dimethyl butanedioate;2-methylbutan-2-ol?
The InChIKey is PEHTZFVIAUGPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C5H12O/c1-9-5(7)3-4-6(8)10-2;1-4-5(2,3)6/h3-4H2,1-2H3;6H,4H2,1-3H3.
What are the key properties of dimethyl butanedioate;2-methylbutan-2-ol?
dimethyl butanedioate;2-methylbutan-2-ol has a molecular weight of 234.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl butanedioate;2-methylbutan-2-ol is sourced from PubChem (CID 174977208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).