buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane

C13H26OSi — CID 11009680

IUPACbuta-1,3-dien-2-yloxy-tri(propan-2-yl)silane
SMILESC=CC(=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-9-13(8)14-15(10(2)3,11(4)5)12(6)7/h9-12H,1,8H2,2-7H3
InChIKeyVTKNDIZBCZTQFO-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.88
Rot. Bonds6

About buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane

buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane (PubChem CID 11009680) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namebuta-1,3-dien-2-yloxy-tri(propan-2-yl)silane
PubChem CID11009680
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Namebuta-1,3-dien-2-yloxy-tri(propan-2-yl)silane
SMILESC=CC(=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-9-13(8)14-15(10(2)3,11(4)5)12(6)7/h9-12H,1,8H2,2-7H3
InChIKeyVTKNDIZBCZTQFO-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Trimethylsiloxy)-1,3-butadiene
CID 554657
Allyloxy(triethyl) silane
CID 575513
Silane, (1,1-dimethylethyl)dimethyl[(1-methylene-2-propenyl)oxy]-
CID 581355
trimethyl-[(3E)-4-trimethylsilylbuta-1,3-dien-2-yl]oxysilane
CID 12726595
triethyl((2Z,4E)-hexa-2,4-dien-3-yloxy)silane
CID 10899948
trimethyl-[(3Z)-penta-1,3-dien-3-yl]oxysilane
CID 10964766
tert-butyl-dimethyl-[(3E)-penta-1,3-dien-2-yl]oxysilane
CID 10997992
(E)-trimethyl(penta-1,3-dien-2-yloxy)silane
CID 11126516
triethyl-[(3E)-penta-1,3-dien-2-yl]oxysilane
CID 11412957
Tri(propan-2-yl)-prop-2-enoxysilane
CID 13999041
Trimethyl(penta-1,3-dien-3-yloxy)silane
CID 53921680
Trimethyl[(penta-1,3-dien-2-yl)oxy]silane
CID 57145039

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane?
The IUPAC name of buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane (CID 11009680) is buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane is C=CC(=C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane?
The InChIKey is VTKNDIZBCZTQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-9-13(8)14-15(10(2)3,11(4)5)12(6)7/h9-12H,1,8H2,2-7H3.
What are the key properties of buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane?
buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane has a molecular weight of 226.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dien-2-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11009680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).