[4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane

C16H26Cl2Si — CID 10615418

IUPAC[4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane
SMILESCC(C)(C)c1cc(CCl)c(C[Si](C)(C)C)c(CCl)c1
InChIInChI=1S/C16H26Cl2Si/c1-16(2,3)14-7-12(9-17)15(11-19(4,5)6)13(8-14)10-18/h7-8H,9-11H2,1-6H3
InChIKeyZTPPVJKFVOKSOQ-UHFFFAOYSA-N
MW317.38 g/mol
LogP5.88
Rot. Bonds4

About [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane

[4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane (PubChem CID 10615418) has the molecular formula C16H26Cl2Si and a molecular weight of 317.38 g/mol. Its IUPAC name is [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane.

Molecular Properties

Compound Name[4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane
PubChem CID10615418
Molecular FormulaC16H26Cl2Si
Molecular Weight317.38 g/mol
Exact Mass316.12
IUPAC Name[4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane
SMILESCC(C)(C)c1cc(CCl)c(C[Si](C)(C)C)c(CCl)c1
InChIInChI=1S/C16H26Cl2Si/c1-16(2,3)14-7-12(9-17)15(11-19(4,5)6)13(8-14)10-18/h7-8H,9-11H2,1-6H3
InChIKeyZTPPVJKFVOKSOQ-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.38
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-ditert-butyl-2-chloro-3-(chloromethyl)benzene
CID 163882850
4-tert-butyl-2,6-bis(chloromethyl)pyridine
CID 176736672
4-tert-butyl-2-(chloromethyl)-1-methylbenzene
CID 524344
2-[2,4-ditert-butyl-6-(chloromethyl)phenyl]phenol
CID 140611028
[6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane
CID 10507552
1-(chloromethyl)-2-ethyl-3,5-bis(trifluoromethyl)benzene
CID 135742809
1,5-bis(chloromethyl)-2,3,4-triethylbenzene
CID 142773067
6,13-ditert-butyl-4-(chloromethyl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 14692240
1-tert-butyl-4-[2-(chloromethyl)phenyl]benzene
CID 141176156
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4-chloro-6-methylpyrimidine
CID 43557498
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-(2-chloroethyl)-1,2,4-oxadiazole
CID 29078894

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane?
The IUPAC name of [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane (CID 10615418) is [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane.
What is the SMILES notation for [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane?
The canonical SMILES for [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane is CC(C)(C)c1cc(CCl)c(C[Si](C)(C)C)c(CCl)c1.
What is the InChIKey of [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane?
The InChIKey is ZTPPVJKFVOKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2Si/c1-16(2,3)14-7-12(9-17)15(11-19(4,5)6)13(8-14)10-18/h7-8H,9-11H2,1-6H3.
What are the key properties of [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane?
[4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane has a molecular weight of 317.38 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane is sourced from PubChem (CID 10615418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).