(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane

C21H27ClOSi — CID 131729331

IUPAC(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane
SMILESC=CCOc1c([SiH](CCl)c2ccccc2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C21H27ClOSi/c1-6-12-23-20-18(21(3,4)5)13-16(2)14-19(20)24(15-22)17-10-8-7-9-11-17/h6-11,13-14,24H,1,12,15H2,2-5H3
InChIKeyGSICSKDOLREELO-UHFFFAOYSA-N
MW358.99 g/mol
LogP3.98
Rot. Bonds6

About (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane

(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane (PubChem CID 131729331) has the molecular formula C21H27ClOSi and a molecular weight of 358.99 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane
PubChem CID131729331
Molecular FormulaC21H27ClOSi
Molecular Weight358.99 g/mol
Exact Mass358.15
IUPAC Name(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane
SMILESC=CCOc1c([SiH](CCl)c2ccccc2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C21H27ClOSi/c1-6-12-23-20-18(21(3,4)5)13-16(2)14-19(20)24(15-22)17-10-8-7-9-11-17/h6-11,13-14,24H,1,12,15H2,2-5H3
InChIKeyGSICSKDOLREELO-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.99
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane 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 (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane?
The IUPAC name of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane (CID 131729331) is (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane.
What is the SMILES notation for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane?
The canonical SMILES for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane is C=CCOc1c([SiH](CCl)c2ccccc2)cc(C)cc1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane?
The InChIKey is GSICSKDOLREELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClOSi/c1-6-12-23-20-18(21(3,4)5)13-16(2)14-19(20)24(15-22)17-10-8-7-9-11-17/h6-11,13-14,24H,1,12,15H2,2-5H3.
What are the key properties of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane?
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane has a molecular weight of 358.99 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(chloromethyl)-phenylsilane is sourced from PubChem (CID 131729331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).