dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate

C24H42O6 — CID 89313630

IUPACdimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate
SMILESCOC(=O)CCCC(C)(C)CCC(=O)CCC(=O)CCC(C)(C)CCCC(=O)OC
InChIInChI=1S/C24H42O6/c1-23(2,15-7-9-21(27)29-5)17-13-19(25)11-12-20(26)14-18-24(3,4)16-8-10-22(28)30-6/h7-18H2,1-6H3
InChIKeyZFJIQHZNAZECGF-UHFFFAOYSA-N
MW426.59 g/mol
LogP5.20
Rot. Bonds17

About dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate

dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate (PubChem CID 89313630) has the molecular formula C24H42O6 and a molecular weight of 426.59 g/mol. Its IUPAC name is dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate.

Molecular Properties

Compound Namedimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate
PubChem CID89313630
Molecular FormulaC24H42O6
Molecular Weight426.59 g/mol
Exact Mass426.30
IUPAC Namedimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate
SMILESCOC(=O)CCCC(C)(C)CCC(=O)CCC(=O)CCC(C)(C)CCCC(=O)OC
InChIInChI=1S/C24H42O6/c1-23(2,15-7-9-21(27)29-5)17-13-19(25)11-12-20(26)14-18-24(3,4)16-8-10-22(28)30-6/h7-18H2,1-6H3
InChIKeyZFJIQHZNAZECGF-UHFFFAOYSA-N
XLogP5.20
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate 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 5,5-dimethyl-9-oxodecanoate
CID 549826
methyl 5,5-dimethylundecanoate
CID 138647692
methyl 7-hydroxy-4,4-dimethylheptanoate
CID 174794936
azane;methyl 5,5-dimethylheptanoate
CID 174428113
dimethyl 2,2-dimethylhexanedioate
CID 28400
dimethyl 9-oxooctadecanedioate
CID 544455
methyl 6,6-dimethylheptanoate
CID 20777196
methyl 5-acetamido-5-methylhexanoate
CID 71347586
methyl 5-hydroxy-5-hydroxysulfanylhexanoate
CID 130285719
dimethyl pentanedioate;hydrochloride
CID 175168861
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565

Frequently Asked Questions

What is the IUPAC name of dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate?
The IUPAC name of dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate (CID 89313630) is dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate.
What is the SMILES notation for dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate?
The canonical SMILES for dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate is COC(=O)CCCC(C)(C)CCC(=O)CCC(=O)CCC(C)(C)CCCC(=O)OC.
What is the InChIKey of dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate?
The InChIKey is ZFJIQHZNAZECGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O6/c1-23(2,15-7-9-21(27)29-5)17-13-19(25)11-12-20(26)14-18-24(3,4)16-8-10-22(28)30-6/h7-18H2,1-6H3.
What are the key properties of dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate?
dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate has a molecular weight of 426.59 g/mol, XLogP of 5.20, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate is sourced from PubChem (CID 89313630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).