1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane

C19H34Si — CID 174954142

IUPAC1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane
SMILESCC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C19H34Si/c1-14(20(8,9)10)15-11-16(18(2,3)4)13-17(12-15)19(5,6)7/h11-14H,1-10H3
InChIKeyDYYQAPAHMVSIQO-UHFFFAOYSA-N
MW290.57 g/mol
LogP6.26
Rot. Bonds2

About 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane

1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane (PubChem CID 174954142) has the molecular formula C19H34Si and a molecular weight of 290.57 g/mol. Its IUPAC name is 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane.

Molecular Properties

Compound Name1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane
PubChem CID174954142
Molecular FormulaC19H34Si
Molecular Weight290.57 g/mol
Exact Mass290.24
IUPAC Name1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane
SMILESCC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C19H34Si/c1-14(20(8,9)10)15-11-16(18(2,3)4)13-17(12-15)19(5,6)7/h11-14H,1-10H3
InChIKeyDYYQAPAHMVSIQO-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.57
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
1-tert-butyl-3,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene
CID 153244950
1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane
CID 145222909
1-tert-butyl-3-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 165377879
2-tert-butyl-1,3-bis[(1R)-1-(3,5-ditert-butylphenyl)ethyl]-5-methylbenzene
CID 155642965
2,4-bis[3-tert-butyl-5-(2-hydroxypropan-2-yl)phenyl]pentan-3-one
CID 174708470
1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene
CID 143472092
3-tert-butyl-5-propan-2-ylpyridine;ethane
CID 162747621
1-(3,5-ditert-butylphenyl)-3-sulfanylpropane-1,2-diol
CID 170821080
(3,5-ditert-butylphenyl)-[5-[(3,5-ditert-butylphenyl)-hydroxymethyl]-1H-pyrrol-2-yl]methanol
CID 177493837
1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane
CID 144560114

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane?
The IUPAC name of 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane (CID 174954142) is 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane.
What is the SMILES notation for 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane?
The canonical SMILES for 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane is CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane?
The InChIKey is DYYQAPAHMVSIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Si/c1-14(20(8,9)10)15-11-16(18(2,3)4)13-17(12-15)19(5,6)7/h11-14H,1-10H3.
What are the key properties of 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane?
1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane has a molecular weight of 290.57 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane is sourced from PubChem (CID 174954142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).