tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane

C12H26O2Si — CID 123483555

IUPACtert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane
SMILESCC=C(OC)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-9-11(13-6)10(2)14-15(7,8)12(3,4)5/h9-10H,1-8H3
InChIKeyCPGPRUBTUJSFJV-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.95
Rot. Bonds4

About tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane

tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane (PubChem CID 123483555) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane
PubChem CID123483555
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane
SMILESCC=C(OC)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-9-11(13-6)10(2)14-15(7,8)12(3,4)5/h9-10H,1-8H3
InChIKeyCPGPRUBTUJSFJV-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-(3-methoxypent-3-en-2-yloxy)-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-(3-methoxypent-3-en-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane (CID 123483555) is tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane is CC=C(OC)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane?
The InChIKey is CPGPRUBTUJSFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-9-11(13-6)10(2)14-15(7,8)12(3,4)5/h9-10H,1-8H3.
What are the key properties of tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane?
tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane has a molecular weight of 230.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-methoxypent-3-en-2-yloxy)-dimethylsilane is sourced from PubChem (CID 123483555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).