(2,4-dichlorophenyl)methoxy-tripropylsilane

C16H26Cl2OSi — CID 594257

IUPAC(2,4-dichlorophenyl)methoxy-tripropylsilane
SMILESCCC[Si](CCC)(CCC)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H26Cl2OSi/c1-4-9-20(10-5-2,11-6-3)19-13-14-7-8-15(17)12-16(14)18/h7-8,12H,4-6,9-11,13H2,1-3H3
InChIKeyOHXSYTKSLWHXLB-UHFFFAOYSA-N
MW333.38 g/mol
LogP6.69
Rot. Bonds9

About (2,4-dichlorophenyl)methoxy-tripropylsilane

(2,4-dichlorophenyl)methoxy-tripropylsilane (PubChem CID 594257) has the molecular formula C16H26Cl2OSi and a molecular weight of 333.38 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methoxy-tripropylsilane.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methoxy-tripropylsilane
PubChem CID594257
Molecular FormulaC16H26Cl2OSi
Molecular Weight333.38 g/mol
Exact Mass332.11
IUPAC Name(2,4-dichlorophenyl)methoxy-tripropylsilane
SMILESCCC[Si](CCC)(CCC)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H26Cl2OSi/c1-4-9-20(10-5-2,11-6-3)19-13-14-7-8-15(17)12-16(14)18/h7-8,12H,4-6,9-11,13H2,1-3H3
InChIKeyOHXSYTKSLWHXLB-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.38
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methoxy-tripropylsilane?
The IUPAC name of (2,4-dichlorophenyl)methoxy-tripropylsilane (CID 594257) is (2,4-dichlorophenyl)methoxy-tripropylsilane.
What is the SMILES notation for (2,4-dichlorophenyl)methoxy-tripropylsilane?
The canonical SMILES for (2,4-dichlorophenyl)methoxy-tripropylsilane is CCC[Si](CCC)(CCC)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methoxy-tripropylsilane?
The InChIKey is OHXSYTKSLWHXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2OSi/c1-4-9-20(10-5-2,11-6-3)19-13-14-7-8-15(17)12-16(14)18/h7-8,12H,4-6,9-11,13H2,1-3H3.
What are the key properties of (2,4-dichlorophenyl)methoxy-tripropylsilane?
(2,4-dichlorophenyl)methoxy-tripropylsilane has a molecular weight of 333.38 g/mol, XLogP of 6.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methoxy-tripropylsilane is sourced from PubChem (CID 594257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).