tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane

C17H29ClOSi — CID 24796696

IUPACtert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CCCCCl)cc1
InChIInChI=1S/C17H29ClOSi/c1-17(2,3)20(4,5)19-14-16-11-9-15(10-12-16)8-6-7-13-18/h9-12H,6-8,13-14H2,1-5H3
InChIKeyAFIDRJANUCKHEG-UHFFFAOYSA-N
MW312.96 g/mol
LogP5.77
Rot. Bonds7

About tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane (PubChem CID 24796696) has the molecular formula C17H29ClOSi and a molecular weight of 312.96 g/mol. Its IUPAC name is tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
PubChem CID24796696
Molecular FormulaC17H29ClOSi
Molecular Weight312.96 g/mol
Exact Mass312.17
IUPAC Nametert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CCCCCl)cc1
InChIInChI=1S/C17H29ClOSi/c1-17(2,3)20(4,5)19-14-16-11-9-15(10-12-16)8-6-7-13-18/h9-12H,6-8,13-14H2,1-5H3
InChIKeyAFIDRJANUCKHEG-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.96
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
CID 159418209
tert-butyl-[(2-chloropyrimidin-5-yl)methoxy]-dimethylsilane
CID 140802501
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 58596731
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
CID 59859472

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane (CID 24796696) is tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(CCCCCl)cc1.
What is the InChIKey of tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane?
The InChIKey is AFIDRJANUCKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClOSi/c1-17(2,3)20(4,5)19-14-16-11-9-15(10-12-16)8-6-7-13-18/h9-12H,6-8,13-14H2,1-5H3.
What are the key properties of tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane has a molecular weight of 312.96 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 24796696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).