dimethyl 2-(2-methylpropyl)butanedioate

C10H18O4 — CID 11264136

IUPACdimethyl 2-(2-methylpropyl)butanedioate
SMILESCOC(=O)CC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H18O4/c1-7(2)5-8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3
InChIKeyLMEQJYNESABIEA-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.38
Rot. Bonds5

About dimethyl 2-(2-methylpropyl)butanedioate

dimethyl 2-(2-methylpropyl)butanedioate (PubChem CID 11264136) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is dimethyl 2-(2-methylpropyl)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(2-methylpropyl)butanedioate
PubChem CID11264136
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namedimethyl 2-(2-methylpropyl)butanedioate
SMILESCOC(=O)CC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H18O4/c1-7(2)5-8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3
InChIKeyLMEQJYNESABIEA-UHFFFAOYSA-N
XLogP1.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-methylpropyl)butanedioate?
The IUPAC name of dimethyl 2-(2-methylpropyl)butanedioate (CID 11264136) is dimethyl 2-(2-methylpropyl)butanedioate.
What is the SMILES notation for dimethyl 2-(2-methylpropyl)butanedioate?
The canonical SMILES for dimethyl 2-(2-methylpropyl)butanedioate is COC(=O)CC(CC(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-(2-methylpropyl)butanedioate?
The InChIKey is LMEQJYNESABIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)5-8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3.
What are the key properties of dimethyl 2-(2-methylpropyl)butanedioate?
dimethyl 2-(2-methylpropyl)butanedioate has a molecular weight of 202.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-methylpropyl)butanedioate is sourced from PubChem (CID 11264136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).