2,3-bis(trimethylsilyloxy)propyl octanoate

C17H38O4Si2 — CID 552892

IUPAC2,3-bis(trimethylsilyloxy)propyl octanoate
SMILESCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O4Si2/c1-8-9-10-11-12-13-17(18)19-14-16(21-23(5,6)7)15-20-22(2,3)4/h16H,8-15H2,1-7H3
InChIKeyDJRROAREVKKRCI-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.96
Rot. Bonds13

About 2,3-bis(trimethylsilyloxy)propyl octanoate

2,3-bis(trimethylsilyloxy)propyl octanoate (PubChem CID 552892) has the molecular formula C17H38O4Si2 and a molecular weight of 362.66 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl octanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl octanoate
PubChem CID552892
Molecular FormulaC17H38O4Si2
Molecular Weight362.66 g/mol
Exact Mass362.23
IUPAC Name2,3-bis(trimethylsilyloxy)propyl octanoate
SMILESCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O4Si2/c1-8-9-10-11-12-13-17(18)19-14-16(21-23(5,6)7)15-20-22(2,3)4/h16H,8-15H2,1-7H3
InChIKeyDJRROAREVKKRCI-UHFFFAOYSA-N
XLogP4.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.96
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 2,3-bis(trimethylsilyloxy)propyl octanoate 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 2,3-bis(trimethylsilyloxy)propyl octanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl octanoate (CID 552892) is 2,3-bis(trimethylsilyloxy)propyl octanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl octanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl octanoate is CCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl octanoate?
The InChIKey is DJRROAREVKKRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O4Si2/c1-8-9-10-11-12-13-17(18)19-14-16(21-23(5,6)7)15-20-22(2,3)4/h16H,8-15H2,1-7H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl octanoate?
2,3-bis(trimethylsilyloxy)propyl octanoate has a molecular weight of 362.66 g/mol, XLogP of 4.96, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyloxy)propyl octanoate is sourced from PubChem (CID 552892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).