dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane

C20H32OSi — CID 11370512

IUPACdimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)C(=C)CCCCCC)c1ccccc1
InChIInChI=1S/C20H32OSi/c1-6-8-9-11-15-18(3)22(4,5)21-20(14-7-2)19-16-12-10-13-17-19/h7,10,12-13,16-17,20H,2-3,6,8-9,11,14-15H2,1,4-5H3
InChIKeySLUPNEZHIJHARQ-UHFFFAOYSA-N
MW316.56 g/mol
LogP6.59
Rot. Bonds11

About dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane

dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane (PubChem CID 11370512) has the molecular formula C20H32OSi and a molecular weight of 316.56 g/mol. Its IUPAC name is dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane.

Molecular Properties

Compound Namedimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane
PubChem CID11370512
Molecular FormulaC20H32OSi
Molecular Weight316.56 g/mol
Exact Mass316.22
IUPAC Namedimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)C(=C)CCCCCC)c1ccccc1
InChIInChI=1S/C20H32OSi/c1-6-8-9-11-15-18(3)22(4,5)21-20(14-7-2)19-16-12-10-13-17-19/h7,10,12-13,16-17,20H,2-3,6,8-9,11,14-15H2,1,4-5H3
InChIKeySLUPNEZHIJHARQ-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 56.59
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'}

Analyze dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)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 dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane?
The IUPAC name of dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane (CID 11370512) is dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane.
What is the SMILES notation for dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane?
The canonical SMILES for dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane is C=CCC(O[Si](C)(C)C(=C)CCCCCC)c1ccccc1.
What is the InChIKey of dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane?
The InChIKey is SLUPNEZHIJHARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32OSi/c1-6-8-9-11-15-18(3)22(4,5)21-20(14-7-2)19-16-12-10-13-17-19/h7,10,12-13,16-17,20H,2-3,6,8-9,11,14-15H2,1,4-5H3.
What are the key properties of dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane?
dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane has a molecular weight of 316.56 g/mol, XLogP of 6.59, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane is sourced from PubChem (CID 11370512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).