(4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane

C15H25ClO2Si — CID 91712691

IUPAC(4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane
SMILESCC(C)CCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClO2Si/c1-13(2)6-5-11-17-19(3,4)18-12-14-7-9-15(16)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyPMUQMULKKUJZEB-UHFFFAOYSA-N
MW300.90 g/mol
LogP5.01
Rot. Bonds8

About (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane

(4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane (PubChem CID 91712691) has the molecular formula C15H25ClO2Si and a molecular weight of 300.90 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane
PubChem CID91712691
Molecular FormulaC15H25ClO2Si
Molecular Weight300.90 g/mol
Exact Mass300.13
IUPAC Name(4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane
SMILESCC(C)CCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClO2Si/c1-13(2)6-5-11-17-19(3,4)18-12-14-7-9-15(16)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyPMUQMULKKUJZEB-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.90
LogP ≤ 55.01
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-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane (CID 91712691) is (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane is CC(C)CCCO[Si](C)(C)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane?
The InChIKey is PMUQMULKKUJZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2Si/c1-13(2)6-5-11-17-19(3,4)18-12-14-7-9-15(16)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane?
(4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane has a molecular weight of 300.90 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91712691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).