bis(4-butylphenyl)-chloro-methylsilane

C21H29ClSi — CID 59164914

IUPACbis(4-butylphenyl)-chloro-methylsilane
SMILESCCCCc1ccc([Si](C)(Cl)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C21H29ClSi/c1-4-6-8-18-10-14-20(15-11-18)23(3,22)21-16-12-19(13-17-21)9-7-5-2/h10-17H,4-9H2,1-3H3
InChIKeyOLQAJGPXKJYLMO-UHFFFAOYSA-N
MW345.00 g/mol
LogP5.30
Rot. Bonds8

About bis(4-butylphenyl)-chloro-methylsilane

bis(4-butylphenyl)-chloro-methylsilane (PubChem CID 59164914) has the molecular formula C21H29ClSi and a molecular weight of 345.00 g/mol. Its IUPAC name is bis(4-butylphenyl)-chloro-methylsilane.

Molecular Properties

Compound Namebis(4-butylphenyl)-chloro-methylsilane
PubChem CID59164914
Molecular FormulaC21H29ClSi
Molecular Weight345.00 g/mol
Exact Mass344.17
IUPAC Namebis(4-butylphenyl)-chloro-methylsilane
SMILESCCCCc1ccc([Si](C)(Cl)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C21H29ClSi/c1-4-6-8-18-10-14-20(15-11-18)23(3,22)21-16-12-19(13-17-21)9-7-5-2/h10-17H,4-9H2,1-3H3
InChIKeyOLQAJGPXKJYLMO-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.00
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane
CID 139774073
dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane
CID 158513645
(4-decylphenyl)-trimethylsilane
CID 69331769
chloro-dimethyl-(4-propylphenyl)silane
CID 139705151
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
(4-butylphenyl)methyl-dimethyl-phenylsilane
CID 10636667
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
4-butylphenol;tungsten
CID 174758928
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119

Frequently Asked Questions

What is the IUPAC name of bis(4-butylphenyl)-chloro-methylsilane?
The IUPAC name of bis(4-butylphenyl)-chloro-methylsilane (CID 59164914) is bis(4-butylphenyl)-chloro-methylsilane.
What is the SMILES notation for bis(4-butylphenyl)-chloro-methylsilane?
The canonical SMILES for bis(4-butylphenyl)-chloro-methylsilane is CCCCc1ccc([Si](C)(Cl)c2ccc(CCCC)cc2)cc1.
What is the InChIKey of bis(4-butylphenyl)-chloro-methylsilane?
The InChIKey is OLQAJGPXKJYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClSi/c1-4-6-8-18-10-14-20(15-11-18)23(3,22)21-16-12-19(13-17-21)9-7-5-2/h10-17H,4-9H2,1-3H3.
What are the key properties of bis(4-butylphenyl)-chloro-methylsilane?
bis(4-butylphenyl)-chloro-methylsilane has a molecular weight of 345.00 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butylphenyl)-chloro-methylsilane is sourced from PubChem (CID 59164914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).