tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane

C16H30OSi — CID 71427894

IUPACtert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane
SMILESC#CCCCC(=C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-8-9-10-12-15(2)13-11-14-17-18(6,7)16(3,4)5/h1H,2,9-14H2,3-7H3
InChIKeyJMWUWHQHKHILBS-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.15
Rot. Bonds8

About tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane

tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane (PubChem CID 71427894) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane
PubChem CID71427894
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane
SMILESC#CCCCC(=C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-8-9-10-12-15(2)13-11-14-17-18(6,7)16(3,4)5/h1H,2,9-14H2,3-7H3
InChIKeyJMWUWHQHKHILBS-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane 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-dimethyl-(4-methylidenenon-8-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane (CID 71427894) is tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane is C#CCCCC(=C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane?
The InChIKey is JMWUWHQHKHILBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-8-9-10-12-15(2)13-11-14-17-18(6,7)16(3,4)5/h1H,2,9-14H2,3-7H3.
What are the key properties of tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane?
tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane has a molecular weight of 266.50 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-methylidenenon-8-ynoxy)silane is sourced from PubChem (CID 71427894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).