[4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate

C18H30O3Si2 — CID 153316400

IUPAC[4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(CCC[Si](C)(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C18H30O3Si2/c1-15(2)18(19)20-17-12-10-16(11-13-17)9-8-14-23(6,7)21-22(3,4)5/h10-13H,1,8-9,14H2,2-7H3
InChIKeyGHLGVWBVGDNEIC-UHFFFAOYSA-N
MW350.61 g/mol
LogP5.16
Rot. Bonds8

About [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate

[4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate (PubChem CID 153316400) has the molecular formula C18H30O3Si2 and a molecular weight of 350.61 g/mol. Its IUPAC name is [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate
PubChem CID153316400
Molecular FormulaC18H30O3Si2
Molecular Weight350.61 g/mol
Exact Mass350.17
IUPAC Name[4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(CCC[Si](C)(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C18H30O3Si2/c1-15(2)18(19)20-17-12-10-16(11-13-17)9-8-14-23(6,7)21-22(3,4)5/h10-13H,1,8-9,14H2,2-7H3
InChIKeyGHLGVWBVGDNEIC-UHFFFAOYSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.61
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-octylphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 159911565
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 121370036
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate
CID 59772013
[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[3-[[3-[dimethyl-[3-[4-(2-methylprop-2-enoyloxy)phenyl]propyl]silyl]-2-(3-hydroxypropoxy)-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl]phenyl] 2-methylprop-2-enoate
CID 154609892
3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 118458100
1-(2-methylprop-2-enoyloxy)-4-[(sulfinoamino)methyl]benzene
CID 23469435
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842

Frequently Asked Questions

What is the IUPAC name of [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate (CID 153316400) is [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(CCC[Si](C)(C)O[Si](C)(C)C)cc1.
What is the InChIKey of [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is GHLGVWBVGDNEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3Si2/c1-15(2)18(19)20-17-12-10-16(11-13-17)9-8-14-23(6,7)21-22(3,4)5/h10-13H,1,8-9,14H2,2-7H3.
What are the key properties of [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate?
[4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 350.61 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 153316400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).