3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane

C13H28OSi — CID 154109738

IUPAC3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane
SMILESCC(C)CCO[SiH2]C=C(C(C)C)C(C)C
InChIInChI=1S/C13H28OSi/c1-10(2)7-8-14-15-9-13(11(3)4)12(5)6/h9-12H,7-8,15H2,1-6H3
InChIKeyDZESZIJQSUKWPG-UHFFFAOYSA-N
MW228.45 g/mol
LogP3.33
Rot. Bonds7

About 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane

3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane (PubChem CID 154109738) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane.

Molecular Properties

Compound Name3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane
PubChem CID154109738
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane
SMILESCC(C)CCO[SiH2]C=C(C(C)C)C(C)C
InChIInChI=1S/C13H28OSi/c1-10(2)7-8-14-15-9-13(11(3)4)12(5)6/h9-12H,7-8,15H2,1-6H3
InChIKeyDZESZIJQSUKWPG-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 53.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane?
The IUPAC name of 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane (CID 154109738) is 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane.
What is the SMILES notation for 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane?
The canonical SMILES for 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane is CC(C)CCO[SiH2]C=C(C(C)C)C(C)C.
What is the InChIKey of 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane?
The InChIKey is DZESZIJQSUKWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-10(2)7-8-14-15-9-13(11(3)4)12(5)6/h9-12H,7-8,15H2,1-6H3.
What are the key properties of 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane?
3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane has a molecular weight of 228.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane is sourced from PubChem (CID 154109738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).