tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane

C12H22O2Si — CID 101077759

IUPACtert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane
SMILESC=CCOCC#CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-9-13-10-8-11-14-15(5,6)12(2,3)4/h7H,1,9-10H2,2-6H3
InChIKeyOUTBFZKJEVTRGW-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane

tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane (PubChem CID 101077759) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane
PubChem CID101077759
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane
SMILESC=CCOCC#CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-9-13-10-8-11-14-15(5,6)12(2,3)4/h7H,1,9-10H2,2-6H3
InChIKeyOUTBFZKJEVTRGW-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane (CID 101077759) is tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane is C=CCOCC#CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane?
The InChIKey is OUTBFZKJEVTRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-9-13-10-8-11-14-15(5,6)12(2,3)4/h7H,1,9-10H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane?
tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane has a molecular weight of 226.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-prop-2-enoxyprop-1-ynoxy)silane is sourced from PubChem (CID 101077759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).