dimethyl 2-ethyl-2,4-dimethylpentanedioate

C11H20O4 — CID 21348330

IUPACdimethyl 2-ethyl-2,4-dimethylpentanedioate
SMILESCCC(C)(CC(C)C(=O)OC)C(=O)OC
InChIInChI=1S/C11H20O4/c1-6-11(3,10(13)15-5)7-8(2)9(12)14-4/h8H,6-7H2,1-5H3
InChIKeyBGMRKKAQEXLSPL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.77
Rot. Bonds5

About dimethyl 2-ethyl-2,4-dimethylpentanedioate

dimethyl 2-ethyl-2,4-dimethylpentanedioate (PubChem CID 21348330) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is dimethyl 2-ethyl-2,4-dimethylpentanedioate.

Molecular Properties

Compound Namedimethyl 2-ethyl-2,4-dimethylpentanedioate
PubChem CID21348330
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namedimethyl 2-ethyl-2,4-dimethylpentanedioate
SMILESCCC(C)(CC(C)C(=O)OC)C(=O)OC
InChIInChI=1S/C11H20O4/c1-6-11(3,10(13)15-5)7-8(2)9(12)14-4/h8H,6-7H2,1-5H3
InChIKeyBGMRKKAQEXLSPL-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-ethyl-2,4-dimethylpentanedioate?
The IUPAC name of dimethyl 2-ethyl-2,4-dimethylpentanedioate (CID 21348330) is dimethyl 2-ethyl-2,4-dimethylpentanedioate.
What is the SMILES notation for dimethyl 2-ethyl-2,4-dimethylpentanedioate?
The canonical SMILES for dimethyl 2-ethyl-2,4-dimethylpentanedioate is CCC(C)(CC(C)C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-ethyl-2,4-dimethylpentanedioate?
The InChIKey is BGMRKKAQEXLSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-11(3,10(13)15-5)7-8(2)9(12)14-4/h8H,6-7H2,1-5H3.
What are the key properties of dimethyl 2-ethyl-2,4-dimethylpentanedioate?
dimethyl 2-ethyl-2,4-dimethylpentanedioate has a molecular weight of 216.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-ethyl-2,4-dimethylpentanedioate is sourced from PubChem (CID 21348330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).