tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane

C32H49NOSi — CID 58841965

IUPACtert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane
SMILES[C-]#[N+]CC(CCCCCCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H49NOSi/c1-6-7-8-9-10-11-12-13-14-15-18-23-29(28-33-5)34-35(32(2,3)4,30-24-19-16-20-25-30)31-26-21-17-22-27-31/h16-17,19-22,24-27,29H,6-15,18,23,28H2,1-4H3
InChIKeyOJLLQYJJQVBUGB-UHFFFAOYSA-N
MW491.84 g/mol
LogP8.55
Rot. Bonds17

About tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane

tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane (PubChem CID 58841965) has the molecular formula C32H49NOSi and a molecular weight of 491.84 g/mol. Its IUPAC name is tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane
PubChem CID58841965
Molecular FormulaC32H49NOSi
Molecular Weight491.84 g/mol
Exact Mass491.36
IUPAC Nametert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane
SMILES[C-]#[N+]CC(CCCCCCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H49NOSi/c1-6-7-8-9-10-11-12-13-14-15-18-23-29(28-33-5)34-35(32(2,3)4,30-24-19-16-20-25-30)31-26-21-17-22-27-31/h16-17,19-22,24-27,29H,6-15,18,23,28H2,1-4H3
InChIKeyOJLLQYJJQVBUGB-UHFFFAOYSA-N
XLogP8.55
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.84
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane?
The IUPAC name of tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane (CID 58841965) is tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane is [C-]#[N+]CC(CCCCCCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane?
The InChIKey is OJLLQYJJQVBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49NOSi/c1-6-7-8-9-10-11-12-13-14-15-18-23-29(28-33-5)34-35(32(2,3)4,30-24-19-16-20-25-30)31-26-21-17-22-27-31/h16-17,19-22,24-27,29H,6-15,18,23,28H2,1-4H3.
What are the key properties of tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane?
tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane has a molecular weight of 491.84 g/mol, XLogP of 8.55, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-isocyanopentadecan-2-yloxy)-diphenylsilane is sourced from PubChem (CID 58841965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).