CID 164958879

C17H27O4Si — CID 164958879

IUPAC—
SMILESCCO[Si](OCC)c1ccc2c(c1)COC(C)(C(C)CC)O2
InChIInChI=1S/C17H27O4Si/c1-6-13(4)17(5)18-12-14-11-15(9-10-16(14)21-17)22(19-7-2)20-8-3/h9-11,13H,6-8,12H2,1-5H3
InChIKeyKTBPJZAIQAHLQK-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.13
Rot. Bonds7

About CID 164958879

CID 164958879 (PubChem CID 164958879) has the molecular formula C17H27O4Si and a molecular weight of 323.49 g/mol.

Molecular Properties

Compound NameCID 164958879
PubChem CID164958879
Molecular FormulaC17H27O4Si
Molecular Weight323.49 g/mol
Exact Mass323.17
IUPAC Name—
SMILESCCO[Si](OCC)c1ccc2c(c1)COC(C)(C(C)CC)O2
InChIInChI=1S/C17H27O4Si/c1-6-13(4)17(5)18-12-14-11-15(9-10-16(14)21-17)22(19-7-2)20-8-3/h9-11,13H,6-8,12H2,1-5H3
InChIKeyKTBPJZAIQAHLQK-UHFFFAOYSA-N
XLogP3.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 164958879 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

CID 165001242
CID 165001242
triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816392
triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane
CID 164816029
CID 164958869
CID 164958869
dimethoxy-methyl-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816398
CID 164981926
CID 164981926
[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate
CID 164815890
diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816366
(1R)-2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 25098927
2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 13375620
diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
CID 164816172
trichloro-[2-methyl-2-(2-methylpropyl)-4H-1,3-benzodioxin-6-yl]silane
CID 164815972

Frequently Asked Questions

What is the IUPAC name of CID 164958879?
The IUPAC name of CID 164958879 (CID 164958879) is not available.
What is the SMILES notation for CID 164958879?
The canonical SMILES for CID 164958879 is CCO[Si](OCC)c1ccc2c(c1)COC(C)(C(C)CC)O2.
What is the InChIKey of CID 164958879?
The InChIKey is KTBPJZAIQAHLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O4Si/c1-6-13(4)17(5)18-12-14-11-15(9-10-16(14)21-17)22(19-7-2)20-8-3/h9-11,13H,6-8,12H2,1-5H3.
What are the key properties of CID 164958879?
CID 164958879 has a molecular weight of 323.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164958879 is sourced from PubChem (CID 164958879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).