tert-butyl-dimethyl-oct-1-ynoxysilane

C14H28OSi — CID 22150660

IUPACtert-butyl-dimethyl-oct-1-ynoxysilane
SMILESCCCCCCC#CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h7-11H2,1-6H3
InChIKeyPGJCIFSVYYMKHG-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.94
Rot. Bonds5

About tert-butyl-dimethyl-oct-1-ynoxysilane

tert-butyl-dimethyl-oct-1-ynoxysilane (PubChem CID 22150660) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-oct-1-ynoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-oct-1-ynoxysilane
PubChem CID22150660
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Nametert-butyl-dimethyl-oct-1-ynoxysilane
SMILESCCCCCCC#CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h7-11H2,1-6H3
InChIKeyPGJCIFSVYYMKHG-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.94
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': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-oct-1-ynoxysilane 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-oct-1-ynoxysilane?
The IUPAC name of tert-butyl-dimethyl-oct-1-ynoxysilane (CID 22150660) is tert-butyl-dimethyl-oct-1-ynoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-oct-1-ynoxysilane?
The canonical SMILES for tert-butyl-dimethyl-oct-1-ynoxysilane is CCCCCCC#CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-oct-1-ynoxysilane?
The InChIKey is PGJCIFSVYYMKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h7-11H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-oct-1-ynoxysilane?
tert-butyl-dimethyl-oct-1-ynoxysilane has a molecular weight of 240.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-oct-1-ynoxysilane is sourced from PubChem (CID 22150660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).