[2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane

C13H20O3Si — CID 151457691

IUPAC[2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane
SMILESCCO[SiH2]c1cc(C)ccc1C1OCCCO1
InChIInChI=1S/C13H20O3Si/c1-3-16-17-12-9-10(2)5-6-11(12)13-14-7-4-8-15-13/h5-6,9,13H,3-4,7-8,17H2,1-2H3
InChIKeyPHUOLKUYOPGMDM-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.18
Rot. Bonds4

About [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane

[2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane (PubChem CID 151457691) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane.

Molecular Properties

Compound Name[2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane
PubChem CID151457691
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Name[2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane
SMILESCCO[SiH2]c1cc(C)ccc1C1OCCCO1
InChIInChI=1S/C13H20O3Si/c1-3-16-17-12-9-10(2)5-6-11(12)13-14-7-4-8-15-13/h5-6,9,13H,3-4,7-8,17H2,1-2H3
InChIKeyPHUOLKUYOPGMDM-UHFFFAOYSA-N
XLogP1.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane?
The IUPAC name of [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane (CID 151457691) is [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane.
What is the SMILES notation for [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane?
The canonical SMILES for [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane is CCO[SiH2]c1cc(C)ccc1C1OCCCO1.
What is the InChIKey of [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane?
The InChIKey is PHUOLKUYOPGMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-3-16-17-12-9-10(2)5-6-11(12)13-14-7-4-8-15-13/h5-6,9,13H,3-4,7-8,17H2,1-2H3.
What are the key properties of [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane?
[2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane has a molecular weight of 252.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxan-2-yl)-5-methylphenyl]-ethoxysilane is sourced from PubChem (CID 151457691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).