dimethyl 2,2,4-trimethylpentanedioate

C10H18O4 — CID 11424214

IUPACdimethyl 2,2,4-trimethylpentanedioate
SMILESCOC(=O)C(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C10H18O4/c1-7(8(11)13-4)6-10(2,3)9(12)14-5/h7H,6H2,1-5H3
InChIKeyINLUMVAUZNYJPB-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.38
Rot. Bonds4

About dimethyl 2,2,4-trimethylpentanedioate

dimethyl 2,2,4-trimethylpentanedioate (PubChem CID 11424214) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is dimethyl 2,2,4-trimethylpentanedioate.

Molecular Properties

Compound Namedimethyl 2,2,4-trimethylpentanedioate
PubChem CID11424214
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namedimethyl 2,2,4-trimethylpentanedioate
SMILESCOC(=O)C(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C10H18O4/c1-7(8(11)13-4)6-10(2,3)9(12)14-5/h7H,6H2,1-5H3
InChIKeyINLUMVAUZNYJPB-UHFFFAOYSA-N
XLogP1.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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 2,2,4-trimethylpentanedioate?
The IUPAC name of dimethyl 2,2,4-trimethylpentanedioate (CID 11424214) is dimethyl 2,2,4-trimethylpentanedioate.
What is the SMILES notation for dimethyl 2,2,4-trimethylpentanedioate?
The canonical SMILES for dimethyl 2,2,4-trimethylpentanedioate is COC(=O)C(C)CC(C)(C)C(=O)OC.
What is the InChIKey of dimethyl 2,2,4-trimethylpentanedioate?
The InChIKey is INLUMVAUZNYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(8(11)13-4)6-10(2,3)9(12)14-5/h7H,6H2,1-5H3.
What are the key properties of dimethyl 2,2,4-trimethylpentanedioate?
dimethyl 2,2,4-trimethylpentanedioate has a molecular weight of 202.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2,4-trimethylpentanedioate is sourced from PubChem (CID 11424214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).