1-butoxyethenoxy-tert-butyl-dimethylsilane

C12H26O2Si — CID 10988079

IUPAC1-butoxyethenoxy-tert-butyl-dimethylsilane
SMILESC=C(OCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-9-10-13-11(2)14-15(6,7)12(3,4)5/h2,8-10H2,1,3-7H3
InChIKeyCHDOLVPDVFKCKP-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.30
Rot. Bonds6

About 1-butoxyethenoxy-tert-butyl-dimethylsilane

1-butoxyethenoxy-tert-butyl-dimethylsilane (PubChem CID 10988079) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-butoxyethenoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-butoxyethenoxy-tert-butyl-dimethylsilane
PubChem CID10988079
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name1-butoxyethenoxy-tert-butyl-dimethylsilane
SMILESC=C(OCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-9-10-13-11(2)14-15(6,7)12(3,4)5/h2,8-10H2,1,3-7H3
InChIKeyCHDOLVPDVFKCKP-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxyethenoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-butoxyethenoxy-tert-butyl-dimethylsilane (CID 10988079) is 1-butoxyethenoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-butoxyethenoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-butoxyethenoxy-tert-butyl-dimethylsilane is C=C(OCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-butoxyethenoxy-tert-butyl-dimethylsilane?
The InChIKey is CHDOLVPDVFKCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-9-10-13-11(2)14-15(6,7)12(3,4)5/h2,8-10H2,1,3-7H3.
What are the key properties of 1-butoxyethenoxy-tert-butyl-dimethylsilane?
1-butoxyethenoxy-tert-butyl-dimethylsilane has a molecular weight of 230.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxyethenoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10988079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).