3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane

C13H28OSi — CID 123732278

IUPAC3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane
SMILESC=C(C[SiH2]OCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-11(13(5,6)7)10-15-14-9-8-12(2,3)4/h1,8-10,15H2,2-7H3
InChIKeyJVLRJIZCVUYBDE-UHFFFAOYSA-N
MW228.45 g/mol
LogP3.54
Rot. Bonds5

About 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane

3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane (PubChem CID 123732278) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane.

Molecular Properties

Compound Name3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane
PubChem CID123732278
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane
SMILESC=C(C[SiH2]OCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-11(13(5,6)7)10-15-14-9-8-12(2,3)4/h1,8-10,15H2,2-7H3
InChIKeyJVLRJIZCVUYBDE-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane?
The IUPAC name of 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane (CID 123732278) is 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane.
What is the SMILES notation for 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane?
The canonical SMILES for 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane is C=C(C[SiH2]OCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane?
The InChIKey is JVLRJIZCVUYBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-11(13(5,6)7)10-15-14-9-8-12(2,3)4/h1,8-10,15H2,2-7H3.
What are the key properties of 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane?
3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane has a molecular weight of 228.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane is sourced from PubChem (CID 123732278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).