dimethyl 2,2,3-trimethyldecanedioate

C15H28O4 — CID 146264674

IUPACdimethyl 2,2,3-trimethyldecanedioate
SMILESCOC(=O)CCCCCCC(C)C(C)(C)C(=O)OC
InChIInChI=1S/C15H28O4/c1-12(15(2,3)14(17)19-5)10-8-6-7-9-11-13(16)18-4/h12H,6-11H2,1-5H3
InChIKeyRSAJCEIUMMLOMY-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.34
Rot. Bonds9

About dimethyl 2,2,3-trimethyldecanedioate

dimethyl 2,2,3-trimethyldecanedioate (PubChem CID 146264674) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is dimethyl 2,2,3-trimethyldecanedioate.

Molecular Properties

Compound Namedimethyl 2,2,3-trimethyldecanedioate
PubChem CID146264674
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namedimethyl 2,2,3-trimethyldecanedioate
SMILESCOC(=O)CCCCCCC(C)C(C)(C)C(=O)OC
InChIInChI=1S/C15H28O4/c1-12(15(2,3)14(17)19-5)10-8-6-7-9-11-13(16)18-4/h12H,6-11H2,1-5H3
InChIKeyRSAJCEIUMMLOMY-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze dimethyl 2,2,3-trimethyldecanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,2,3-trimethylhexadecanoate
CID 87793421
methyl 2,2,3-trimethylheptanoate
CID 87200659
methyl 21-methyldocosanoate
CID 14178788
methyl (7R)-7-hydroxyoctanoate
CID 13111883
methyl 9-hydroxydecanoate
CID 530430
methyl 14-hydroxypentadecanoate
CID 13111893
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl 4-methyltetradecanedioate
CID 87116988
trimethyl heptadecane-1,7,17-tricarboxylate
CID 102526998
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
methyl 18,18-dihydroxyoctadecanoate
CID 151355235

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2,3-trimethyldecanedioate?
The IUPAC name of dimethyl 2,2,3-trimethyldecanedioate (CID 146264674) is dimethyl 2,2,3-trimethyldecanedioate.
What is the SMILES notation for dimethyl 2,2,3-trimethyldecanedioate?
The canonical SMILES for dimethyl 2,2,3-trimethyldecanedioate is COC(=O)CCCCCCC(C)C(C)(C)C(=O)OC.
What is the InChIKey of dimethyl 2,2,3-trimethyldecanedioate?
The InChIKey is RSAJCEIUMMLOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-12(15(2,3)14(17)19-5)10-8-6-7-9-11-13(16)18-4/h12H,6-11H2,1-5H3.
What are the key properties of dimethyl 2,2,3-trimethyldecanedioate?
dimethyl 2,2,3-trimethyldecanedioate has a molecular weight of 272.38 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2,3-trimethyldecanedioate is sourced from PubChem (CID 146264674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).