tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane

C25H52O7Si — CID 141339673

IUPACtributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane
SMILESCCCCO[Si](OCCCC)(OCCCC)C(CCC)OC(CC)OC1(CC)OC(CC)O1
InChIInChI=1S/C25H52O7Si/c1-8-15-19-26-33(27-20-16-9-2,28-21-17-10-3)24(18-11-4)29-22(12-5)30-25(14-7)31-23(13-6)32-25/h22-24H,8-21H2,1-7H3
InChIKeyRDFCJJPRMTZVQC-UHFFFAOYSA-N
MW492.77 g/mol
LogP6.70
Rot. Bonds22

About tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane

tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane (PubChem CID 141339673) has the molecular formula C25H52O7Si and a molecular weight of 492.77 g/mol. Its IUPAC name is tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane.

Molecular Properties

Compound Nametributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane
PubChem CID141339673
Molecular FormulaC25H52O7Si
Molecular Weight492.77 g/mol
Exact Mass492.35
IUPAC Nametributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane
SMILESCCCCO[Si](OCCCC)(OCCCC)C(CCC)OC(CC)OC1(CC)OC(CC)O1
InChIInChI=1S/C25H52O7Si/c1-8-15-19-26-33(27-20-16-9-2,28-21-17-10-3)24(18-11-4)29-22(12-5)30-25(14-7)31-23(13-6)32-25/h22-24H,8-21H2,1-7H3
InChIKeyRDFCJJPRMTZVQC-UHFFFAOYSA-N
XLogP6.70
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.77
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]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

tributoxy(1-butoxybutyl)silane
CID 54422613
1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane
CID 140967214
butoxy-butyl-methyl-nonan-5-ylsilane
CID 141433709
butoxy-dimethyl-pentan-2-yloxysilane
CID 91726705
1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane
CID 141340330
1-butoxy-1-(1-butoxybutoxy)butane
CID 121333025
triethoxy(1-propoxybutyl)silane
CID 174856120
tributoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
CID 22169291
butoxy-iodo-dimethylsilane
CID 88777497
1-butan-2-yloxy-1-butoxybutane
CID 19964023
CID 162392124
CID 162392124
1-butoxypropyl(trimethoxy)silane
CID 174729395

Frequently Asked Questions

What is the IUPAC name of tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane?
The IUPAC name of tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane (CID 141339673) is tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane.
What is the SMILES notation for tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane?
The canonical SMILES for tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane is CCCCO[Si](OCCCC)(OCCCC)C(CCC)OC(CC)OC1(CC)OC(CC)O1.
What is the InChIKey of tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane?
The InChIKey is RDFCJJPRMTZVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O7Si/c1-8-15-19-26-33(27-20-16-9-2,28-21-17-10-3)24(18-11-4)29-22(12-5)30-25(14-7)31-23(13-6)32-25/h22-24H,8-21H2,1-7H3.
What are the key properties of tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane?
tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane has a molecular weight of 492.77 g/mol, XLogP of 6.70, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane is sourced from PubChem (CID 141339673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).