tert-butyl-(10-iododecoxy)-diphenylsilane

C26H39IOSi — CID 10994946

IUPACtert-butyl-(10-iododecoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCCCCCI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39IOSi/c1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h10-15,18-21H,4-9,16-17,22-23H2,1-3H3
InChIKeyVMATYQVAWMPPJX-UHFFFAOYSA-N
MW522.59 g/mol
LogP7.12
Rot. Bonds13

About tert-butyl-(10-iododecoxy)-diphenylsilane

tert-butyl-(10-iododecoxy)-diphenylsilane (PubChem CID 10994946) has the molecular formula C26H39IOSi and a molecular weight of 522.59 g/mol. Its IUPAC name is tert-butyl-(10-iododecoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(10-iododecoxy)-diphenylsilane
PubChem CID10994946
Molecular FormulaC26H39IOSi
Molecular Weight522.59 g/mol
Exact Mass522.18
IUPAC Nametert-butyl-(10-iododecoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCCCCCI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39IOSi/c1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h10-15,18-21H,4-9,16-17,22-23H2,1-3H3
InChIKeyVMATYQVAWMPPJX-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.59
LogP ≤ 57.12
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(10-iododecoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(10-iododecoxy)-diphenylsilane (CID 10994946) is tert-butyl-(10-iododecoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(10-iododecoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(10-iododecoxy)-diphenylsilane is CC(C)(C)[Si](OCCCCCCCCCCI)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(10-iododecoxy)-diphenylsilane?
The InChIKey is VMATYQVAWMPPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39IOSi/c1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h10-15,18-21H,4-9,16-17,22-23H2,1-3H3.
What are the key properties of tert-butyl-(10-iododecoxy)-diphenylsilane?
tert-butyl-(10-iododecoxy)-diphenylsilane has a molecular weight of 522.59 g/mol, XLogP of 7.12, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(10-iododecoxy)-diphenylsilane is sourced from PubChem (CID 10994946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).