3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate

C22H46O4Si — CID 140613293

IUPAC3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCC[Si](OC(C)C)(OC(C)C)C(C)C)C(C)C
InChIInChI=1S/C22H46O4Si/c1-16(2)15-22(11,17(3)4)21(23)24-13-12-14-27(20(9)10,25-18(5)6)26-19(7)8/h16-20H,12-15H2,1-11H3
InChIKeyGTODGUDMEHRUJG-UHFFFAOYSA-N
MW402.69 g/mol
LogP6.33
Rot. Bonds13

About 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate

3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 140613293) has the molecular formula C22H46O4Si and a molecular weight of 402.69 g/mol. Its IUPAC name is 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID140613293
Molecular FormulaC22H46O4Si
Molecular Weight402.69 g/mol
Exact Mass402.32
IUPAC Name3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCC[Si](OC(C)C)(OC(C)C)C(C)C)C(C)C
InChIInChI=1S/C22H46O4Si/c1-16(2)15-22(11,17(3)4)21(23)24-13-12-14-27(20(9)10,25-18(5)6)26-19(7)8/h16-20H,12-15H2,1-11H3
InChIKeyGTODGUDMEHRUJG-UHFFFAOYSA-N
XLogP6.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.69
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate (CID 140613293) is 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate is CC(C)CC(C)(C(=O)OCCC[Si](OC(C)C)(OC(C)C)C(C)C)C(C)C.
What is the InChIKey of 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is GTODGUDMEHRUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4Si/c1-16(2)15-22(11,17(3)4)21(23)24-13-12-14-27(20(9)10,25-18(5)6)26-19(7)8/h16-20H,12-15H2,1-11H3.
What are the key properties of 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate?
3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 402.69 g/mol, XLogP of 6.33, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-di(propan-2-yloxy)silyl]propyl 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 140613293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).