tert-butyl-dimethyl-pent-2-en-4-ynoxysilane

C11H20OSi — CID 71339445

IUPACtert-butyl-dimethyl-pent-2-en-4-ynoxysilane
SMILESC#CC=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20OSi/c1-7-8-9-10-12-13(5,6)11(2,3)4/h1,8-9H,10H2,2-6H3
InChIKeyMRSJQCJTLMLQSC-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl-dimethyl-pent-2-en-4-ynoxysilane

tert-butyl-dimethyl-pent-2-en-4-ynoxysilane (PubChem CID 71339445) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-pent-2-en-4-ynoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-pent-2-en-4-ynoxysilane
PubChem CID71339445
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Nametert-butyl-dimethyl-pent-2-en-4-ynoxysilane
SMILESC#CC=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20OSi/c1-7-8-9-10-12-13(5,6)11(2,3)4/h1,8-9H,10H2,2-6H3
InChIKeyMRSJQCJTLMLQSC-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-pent-2-en-4-ynoxysilane?
The IUPAC name of tert-butyl-dimethyl-pent-2-en-4-ynoxysilane (CID 71339445) is tert-butyl-dimethyl-pent-2-en-4-ynoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-pent-2-en-4-ynoxysilane?
The canonical SMILES for tert-butyl-dimethyl-pent-2-en-4-ynoxysilane is C#CC=CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-pent-2-en-4-ynoxysilane?
The InChIKey is MRSJQCJTLMLQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-7-8-9-10-12-13(5,6)11(2,3)4/h1,8-9H,10H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-pent-2-en-4-ynoxysilane?
tert-butyl-dimethyl-pent-2-en-4-ynoxysilane has a molecular weight of 196.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-pent-2-en-4-ynoxysilane is sourced from PubChem (CID 71339445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).