[2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate

C20H36O6 — CID 59988006

IUPAC[2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate
SMILESCCC(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)C(C)CC
InChIInChI=1S/C20H36O6/c1-9-14(3)16(21)24-11-19(5,6)12-26-18(23)20(7,8)13-25-17(22)15(4)10-2/h14-15H,9-13H2,1-8H3
InChIKeyWARGAHPWZUFODE-UHFFFAOYSA-N
MW372.50 g/mol
LogP3.76
Rot. Bonds11

About [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate

[2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate (PubChem CID 59988006) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate
PubChem CID59988006
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name[2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate
SMILESCCC(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)C(C)CC
InChIInChI=1S/C20H36O6/c1-9-14(3)16(21)24-11-19(5,6)12-26-18(23)20(7,8)13-25-17(22)15(4)10-2/h14-15H,9-13H2,1-8H3
InChIKeyWARGAHPWZUFODE-UHFFFAOYSA-N
XLogP3.76
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate 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

[2,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)oxypropyl] 2-methylbutanoate
CID 147464456
ethane;ethyl 2-methylbutanoate
CID 144747106
2,2-dimethylpentyl 2-methylbutanoate;ethane;toluene
CID 155718140
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
[2,2-dimethyl-3-(2-methylheptacosanoyloxy)propyl] 2-methylheptacosanoate
CID 23526468
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
5-[3-(4-carboxy-2,2-dimethylpentanoyl)oxy-2,2-bis[(4-carboxy-2,2-dimethylpentanoyl)oxymethyl]propoxy]-2,4,4-trimethyl-5-oxopentanoic acid
CID 147380792
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
isocyanomethyl 2-methylbutanoate
CID 59266759
(2,2-dimethyl-3-prop-2-ynoxypropyl) 2,2-dimethyl-3-prop-2-ynoxypropanoate
CID 90225103
ethyl 2,2,4-trimethyl-3-oxohexanoate
CID 63717246
[2,2-dimethyl-3-(2-methylprop-2-enylperoxy)propyl] 2,2-dimethylbutanoate
CID 58715900

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate?
The IUPAC name of [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate (CID 59988006) is [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate.
What is the SMILES notation for [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate?
The canonical SMILES for [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate is CCC(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)C(C)CC.
What is the InChIKey of [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate?
The InChIKey is WARGAHPWZUFODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O6/c1-9-14(3)16(21)24-11-19(5,6)12-26-18(23)20(7,8)13-25-17(22)15(4)10-2/h14-15H,9-13H2,1-8H3.
What are the key properties of [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate?
[2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate has a molecular weight of 372.50 g/mol, XLogP of 3.76, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate is sourced from PubChem (CID 59988006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).