[2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane

C27H32O5Si — CID 141170369

IUPAC[2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane
SMILESCCC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1C1(CC)OCCCO1
InChIInChI=1S/C27H32O5Si/c1-3-22-33(30-23-14-7-5-8-15-23,31-24-16-9-6-10-17-24)32-26-19-12-11-18-25(26)27(4-2)28-20-13-21-29-27/h5-12,14-19H,3-4,13,20-22H2,1-2H3
InChIKeyNWPCYMFYIITIEZ-UHFFFAOYSA-N
MW464.63 g/mol
LogP6.57
Rot. Bonds10

About [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane

[2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane (PubChem CID 141170369) has the molecular formula C27H32O5Si and a molecular weight of 464.63 g/mol. Its IUPAC name is [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane.

Molecular Properties

Compound Name[2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane
PubChem CID141170369
Molecular FormulaC27H32O5Si
Molecular Weight464.63 g/mol
Exact Mass464.20
IUPAC Name[2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane
SMILESCCC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1C1(CC)OCCCO1
InChIInChI=1S/C27H32O5Si/c1-3-22-33(30-23-14-7-5-8-15-23,31-24-16-9-6-10-17-24)32-26-19-12-11-18-25(26)27(4-2)28-20-13-21-29-27/h5-12,14-19H,3-4,13,20-22H2,1-2H3
InChIKeyNWPCYMFYIITIEZ-UHFFFAOYSA-N
XLogP6.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane 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-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
3-[1-(3-ethyloxetan-3-yl)ethoxy]propyl-triphenoxysilane
CID 90384082
2-(2-propyl-1,3-dioxolan-2-yl)phenol
CID 83957796
1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,3-dimethylcyclopent-2-en-1-ol
CID 23015940
2-(3-bromo-2-methylphenyl)-2-ethyl-1,3-dioxolane
CID 83957385
butyl-iodo-methyl-phenoxysilane
CID 154487021
1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol
CID 23014880
2-ethoxy-2-phenyl-1,3-dioxane
CID 86143567
2-(2-methylpropyl)-2-phenyl-1,3-dioxane
CID 89439871
butyl-diiodo-phenoxysilane
CID 140745005
2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate
CID 143933613
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane?
The IUPAC name of [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane (CID 141170369) is [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane.
What is the SMILES notation for [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane?
The canonical SMILES for [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane is CCC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1C1(CC)OCCCO1.
What is the InChIKey of [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane?
The InChIKey is NWPCYMFYIITIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O5Si/c1-3-22-33(30-23-14-7-5-8-15-23,31-24-16-9-6-10-17-24)32-26-19-12-11-18-25(26)27(4-2)28-20-13-21-29-27/h5-12,14-19H,3-4,13,20-22H2,1-2H3.
What are the key properties of [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane?
[2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane has a molecular weight of 464.63 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-1,3-dioxan-2-yl)phenoxy]-diphenoxy-propylsilane is sourced from PubChem (CID 141170369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).