3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate

C23H48O3Si — CID 58160661

IUPAC3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCC[Si](CC(C)C)(OC(C)C)C(C)C)C(C)C
InChIInChI=1S/C23H48O3Si/c1-17(2)15-23(11,19(5)6)22(24)25-13-12-14-27(21(9)10,16-18(3)4)26-20(7)8/h17-21H,12-16H2,1-11H3
InChIKeyHJEJDOGEHQWNPZ-UHFFFAOYSA-N
MW400.72 g/mol
LogP7.06
Rot. Bonds13

About 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate

3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 58160661) has the molecular formula C23H48O3Si and a molecular weight of 400.72 g/mol. Its IUPAC name is 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID58160661
Molecular FormulaC23H48O3Si
Molecular Weight400.72 g/mol
Exact Mass400.34
IUPAC Name3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCC[Si](CC(C)C)(OC(C)C)C(C)C)C(C)C
InChIInChI=1S/C23H48O3Si/c1-17(2)15-23(11,19(5)6)22(24)25-13-12-14-27(21(9)10,16-18(3)4)26-20(7)8/h17-21H,12-16H2,1-11H3
InChIKeyHJEJDOGEHQWNPZ-UHFFFAOYSA-N
XLogP7.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate (CID 58160661) is 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate is CC(C)CC(C)(C(=O)OCCC[Si](CC(C)C)(OC(C)C)C(C)C)C(C)C.
What is the InChIKey of 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is HJEJDOGEHQWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O3Si/c1-17(2)15-23(11,19(5)6)22(24)25-13-12-14-27(21(9)10,16-18(3)4)26-20(7)8/h17-21H,12-16H2,1-11H3.
What are the key properties of 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate?
3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 400.72 g/mol, XLogP of 7.06, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 58160661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).