butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane

C15H30O3Si — CID 67880411

IUPACbutyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane
SMILESC=CC(CO[Si](C)(C)CCCC)OC1CCCCO1
InChIInChI=1S/C15H30O3Si/c1-5-7-12-19(3,4)17-13-14(6-2)18-15-10-8-9-11-16-15/h6,14-15H,2,5,7-13H2,1,3-4H3
InChIKeyVBBMZLHAWHZDJQ-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.11
Rot. Bonds9

About butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane

butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane (PubChem CID 67880411) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane.

Molecular Properties

Compound Namebutyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane
PubChem CID67880411
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namebutyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane
SMILESC=CC(CO[Si](C)(C)CCCC)OC1CCCCO1
InChIInChI=1S/C15H30O3Si/c1-5-7-12-19(3,4)17-13-14(6-2)18-15-10-8-9-11-16-15/h6,14-15H,2,5,7-13H2,1,3-4H3
InChIKeyVBBMZLHAWHZDJQ-UHFFFAOYSA-N
XLogP4.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane?
The IUPAC name of butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane (CID 67880411) is butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane.
What is the SMILES notation for butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane?
The canonical SMILES for butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane is C=CC(CO[Si](C)(C)CCCC)OC1CCCCO1.
What is the InChIKey of butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane?
The InChIKey is VBBMZLHAWHZDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-5-7-12-19(3,4)17-13-14(6-2)18-15-10-8-9-11-16-15/h6,14-15H,2,5,7-13H2,1,3-4H3.
What are the key properties of butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane?
butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane has a molecular weight of 286.49 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane is sourced from PubChem (CID 67880411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).