2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane

C15H24O4Si — CID 175588406

IUPAC2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane
SMILESCOc1ccc(C2OCCC(CCO[SiH](C)C)O2)cc1
InChIInChI=1S/C15H24O4Si/c1-16-13-6-4-12(5-7-13)15-17-10-8-14(19-15)9-11-18-20(2)3/h4-7,14-15,20H,8-11H2,1-3H3
InChIKeyYVTPXPKSFQZJLZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.89
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane

2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane (PubChem CID 175588406) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane
PubChem CID175588406
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane
SMILESCOc1ccc(C2OCCC(CCO[SiH](C)C)O2)cc1
InChIInChI=1S/C15H24O4Si/c1-16-13-6-4-12(5-7-13)15-17-10-8-14(19-15)9-11-18-20(2)3/h4-7,14-15,20H,8-11H2,1-3H3
InChIKeyYVTPXPKSFQZJLZ-UHFFFAOYSA-N
XLogP2.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane 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

4-heptyl-2-(4-methoxyphenyl)-1,3-dioxane
CID 23041057
4-[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]butan-2-one
CID 11414387
2-(4-butoxyphenyl)-4-pentyl-1,3-dioxane
CID 23041609
(1R,3S)-1-[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-3-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]propane-1,3-diol
CID 11015987
2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane
CID 23041443
(4R)-4-[(2R)-2-(1,3-dithian-2-yl)propyl]-2-(4-methoxyphenyl)-1,3-dioxane
CID 117070787
[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
CID 11234300
O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride
CID 53421243
1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethanone
CID 11031862
4-pentyl-2-(4-pentylphenyl)-1,3-dioxane
CID 23041374
2-(4-butylphenyl)-4-propyl-1,3-dioxane
CID 23041362
2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 53306707

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane (CID 175588406) is 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane is COc1ccc(C2OCCC(CCO[SiH](C)C)O2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane?
The InChIKey is YVTPXPKSFQZJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-16-13-6-4-12(5-7-13)15-17-10-8-14(19-15)9-11-18-20(2)3/h4-7,14-15,20H,8-11H2,1-3H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane?
2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane has a molecular weight of 296.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane is sourced from PubChem (CID 175588406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).