tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane

C20H40OSi — CID 11313354

IUPACtert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCC1CC=CCC1
InChIInChI=1S/C20H40OSi/c1-20(2,3)22(4,5)21-18-14-9-7-6-8-11-15-19-16-12-10-13-17-19/h10,12,19H,6-9,11,13-18H2,1-5H3
InChIKeyNXPMPCAETNGULY-UHFFFAOYSA-N
MW324.63 g/mol
LogP7.10
Rot. Bonds10

About tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane

tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane (PubChem CID 11313354) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
PubChem CID11313354
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Nametert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCC1CC=CCC1
InChIInChI=1S/C20H40OSi/c1-20(2,3)22(4,5)21-18-14-9-7-6-8-11-15-19-16-12-10-13-17-19/h10,12,19H,6-9,11,13-18H2,1-5H3
InChIKeyNXPMPCAETNGULY-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 57.10
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 tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane 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-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane (CID 11313354) is tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCCCCC1CC=CCC1.
What is the InChIKey of tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane?
The InChIKey is NXPMPCAETNGULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40OSi/c1-20(2,3)22(4,5)21-18-14-9-7-6-8-11-15-19-16-12-10-13-17-19/h10,12,19H,6-9,11,13-18H2,1-5H3.
What are the key properties of tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane?
tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane has a molecular weight of 324.63 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane is sourced from PubChem (CID 11313354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).