butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane

C18H40O3Si3 — CID 140893053

IUPACbutyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
SMILESC=CC=CCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C18H40O3Si3/c1-9-11-13-15-19-16-14-18-23(5,6)21-24(7,8)20-22(3,4)17-12-10-2/h9,11,13H,1,10,12,14-18H2,2-8H3
InChIKeyWMDSKICTNKRGKR-UHFFFAOYSA-N
MW388.77 g/mol
LogP6.08
Rot. Bonds14

About butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane

butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane (PubChem CID 140893053) has the molecular formula C18H40O3Si3 and a molecular weight of 388.77 g/mol. Its IUPAC name is butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Namebutyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
PubChem CID140893053
Molecular FormulaC18H40O3Si3
Molecular Weight388.77 g/mol
Exact Mass388.23
IUPAC Namebutyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
SMILESC=CC=CCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C18H40O3Si3/c1-9-11-13-15-19-16-14-18-23(5,6)21-24(7,8)20-22(3,4)17-12-10-2/h9,11,13H,1,10,12,14-18H2,2-8H3
InChIKeyWMDSKICTNKRGKR-UHFFFAOYSA-N
XLogP6.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.77
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 13634985
tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane
CID 132569252
tert-butyl-dimethyl-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienoxy]silane
CID 25067662
tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane
CID 135047954
[(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane
CID 135079519
[3-[(1R)-1-deuterioprop-2-enoxy]-1-triethylsilylpropyl]-triethylsilane
CID 138962818
tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane
CID 10323877
tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane
CID 10520358
tert-butyl-[(2Z,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 13634986
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane
CID 85169731
Ethoxy-tris(2-prop-2-enoxyethyl)silane
CID 87106469
3-[(2E,4E)-hexa-2,4-dienoxy]propyl-trimethoxysilane
CID 87149036

Frequently Asked Questions

What is the IUPAC name of butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane (CID 140893053) is butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane is C=CC=CCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is WMDSKICTNKRGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si3/c1-9-11-13-15-19-16-14-18-23(5,6)21-24(7,8)20-22(3,4)17-12-10-2/h9,11,13H,1,10,12,14-18H2,2-8H3.
What are the key properties of butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane?
butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 388.77 g/mol, XLogP of 6.08, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 140893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).