(4-chlorophenyl)methoxy-diethyl-heptoxysilane

C18H31ClO2Si — CID 91742108

IUPAC(4-chlorophenyl)methoxy-diethyl-heptoxysilane
SMILESCCCCCCCO[Si](CC)(CC)OCc1ccc(Cl)cc1
InChIInChI=1S/C18H31ClO2Si/c1-4-7-8-9-10-15-20-22(5-2,6-3)21-16-17-11-13-18(19)14-12-17/h11-14H,4-10,15-16H2,1-3H3
InChIKeyPHOGMZXGONNMFM-UHFFFAOYSA-N
MW342.98 g/mol
LogP6.33
Rot. Bonds12

About (4-chlorophenyl)methoxy-diethyl-heptoxysilane

(4-chlorophenyl)methoxy-diethyl-heptoxysilane (PubChem CID 91742108) has the molecular formula C18H31ClO2Si and a molecular weight of 342.98 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-diethyl-heptoxysilane.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-diethyl-heptoxysilane
PubChem CID91742108
Molecular FormulaC18H31ClO2Si
Molecular Weight342.98 g/mol
Exact Mass342.18
IUPAC Name(4-chlorophenyl)methoxy-diethyl-heptoxysilane
SMILESCCCCCCCO[Si](CC)(CC)OCc1ccc(Cl)cc1
InChIInChI=1S/C18H31ClO2Si/c1-4-7-8-9-10-15-20-22(5-2,6-3)21-16-17-11-13-18(19)14-12-17/h11-14H,4-10,15-16H2,1-3H3
InChIKeyPHOGMZXGONNMFM-UHFFFAOYSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.98
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4-chlorophenyl)methoxy-diethyl-heptoxysilane?
The IUPAC name of (4-chlorophenyl)methoxy-diethyl-heptoxysilane (CID 91742108) is (4-chlorophenyl)methoxy-diethyl-heptoxysilane.
What is the SMILES notation for (4-chlorophenyl)methoxy-diethyl-heptoxysilane?
The canonical SMILES for (4-chlorophenyl)methoxy-diethyl-heptoxysilane is CCCCCCCO[Si](CC)(CC)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methoxy-diethyl-heptoxysilane?
The InChIKey is PHOGMZXGONNMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClO2Si/c1-4-7-8-9-10-15-20-22(5-2,6-3)21-16-17-11-13-18(19)14-12-17/h11-14H,4-10,15-16H2,1-3H3.
What are the key properties of (4-chlorophenyl)methoxy-diethyl-heptoxysilane?
(4-chlorophenyl)methoxy-diethyl-heptoxysilane has a molecular weight of 342.98 g/mol, XLogP of 6.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-diethyl-heptoxysilane is sourced from PubChem (CID 91742108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).