tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane

C27H46O2Si — CID 10550611

IUPACtert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane
SMILESCCCCCCCCCCC#CCOCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-28-23-25-18-20-26(21-19-25)24-29-30(5,6)27(2,3)4/h18-21H,7-15,22-24H2,1-6H3
InChIKeyKHZRKCBVEPAQMP-UHFFFAOYSA-N
MW430.75 g/mol
LogP8.26
Rot. Bonds14

About tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane

tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane (PubChem CID 10550611) has the molecular formula C27H46O2Si and a molecular weight of 430.75 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane
PubChem CID10550611
Molecular FormulaC27H46O2Si
Molecular Weight430.75 g/mol
Exact Mass430.33
IUPAC Nametert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane
SMILESCCCCCCCCCCC#CCOCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-28-23-25-18-20-26(21-19-25)24-29-30(5,6)27(2,3)4/h18-21H,7-15,22-24H2,1-6H3
InChIKeyKHZRKCBVEPAQMP-UHFFFAOYSA-N
XLogP8.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.75
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane
CID 10717621
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CID 68636763
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
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[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
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
tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]-2-methoxy-2-methylpropyl] N-methyl-N-octadecylcarbamate
CID 19385556
tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane (CID 10550611) is tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane is CCCCCCCCCCC#CCOCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane?
The InChIKey is KHZRKCBVEPAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-28-23-25-18-20-26(21-19-25)24-29-30(5,6)27(2,3)4/h18-21H,7-15,22-24H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane?
tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane has a molecular weight of 430.75 g/mol, XLogP of 8.26, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane is sourced from PubChem (CID 10550611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).