tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane

C12H24O2Si — CID 102037456

IUPACtert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane
SMILESC=C1CC1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10-9-11(10)13-7-8-14-15(5,6)12(2,3)4/h11H,1,7-9H2,2-6H3
InChIKeyVVRGIQLGUPLNFE-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds5

About tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane

tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane (PubChem CID 102037456) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane
PubChem CID102037456
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane
SMILESC=C1CC1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10-9-11(10)13-7-8-14-15(5,6)12(2,3)4/h11H,1,7-9H2,2-6H3
InChIKeyVVRGIQLGUPLNFE-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.35
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane (CID 102037456) is tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane is C=C1CC1OCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane?
The InChIKey is VVRGIQLGUPLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-10-9-11(10)13-7-8-14-15(5,6)12(2,3)4/h11H,1,7-9H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane?
tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane has a molecular weight of 228.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(2-methylidenecyclopropyl)oxyethoxy]silane is sourced from PubChem (CID 102037456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).