dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane

C13H22Cl2OSi2 — CID 155629440

IUPACdichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane
SMILESCCC(c1ccc(O[Si](C)(C)C)cc1)[Si](C)(Cl)Cl
InChIInChI=1S/C13H22Cl2OSi2/c1-6-13(18(5,14)15)11-7-9-12(10-8-11)16-17(2,3)4/h7-10,13H,6H2,1-5H3
InChIKeyWELWXPYFHOFRTD-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.48
Rot. Bonds5

About dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane

dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane (PubChem CID 155629440) has the molecular formula C13H22Cl2OSi2 and a molecular weight of 321.40 g/mol. Its IUPAC name is dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane.

Molecular Properties

Compound Namedichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane
PubChem CID155629440
Molecular FormulaC13H22Cl2OSi2
Molecular Weight321.40 g/mol
Exact Mass320.06
IUPAC Namedichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane
SMILESCCC(c1ccc(O[Si](C)(C)C)cc1)[Si](C)(Cl)Cl
InChIInChI=1S/C13H22Cl2OSi2/c1-6-13(18(5,14)15)11-7-9-12(10-8-11)16-17(2,3)4/h7-10,13H,6H2,1-5H3
InChIKeyWELWXPYFHOFRTD-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887552
(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263199
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872
(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride
CID 171226877
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104
(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine
CID 171207296
trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane
CID 54547032
(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111
(R)-cyclopropyl-(4-trimethylsilyloxyphenyl)methanamine
CID 171207318
ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
CID 171248851

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane?
The IUPAC name of dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane (CID 155629440) is dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane.
What is the SMILES notation for dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane?
The canonical SMILES for dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane is CCC(c1ccc(O[Si](C)(C)C)cc1)[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane?
The InChIKey is WELWXPYFHOFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2OSi2/c1-6-13(18(5,14)15)11-7-9-12(10-8-11)16-17(2,3)4/h7-10,13H,6H2,1-5H3.
What are the key properties of dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane?
dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane has a molecular weight of 321.40 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane is sourced from PubChem (CID 155629440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).