benzylsilicon(3+);tris(2-ethoxyprop-2-enoate)

C22H34O9Si — CID 70416724

IUPACbenzylsilicon(3+);tris(2-ethoxyprop-2-enoate)
SMILESC=C(OCC)C(=O)[O-].C=C(OCC)C(=O)[O-].C=C(OCC)C(=O)[O-].[SiH6+3]Cc1ccccc1
InChIInChI=1S/C7H13Si.3C5H8O3/c8-6-7-4-2-1-3-5-7;3*1-3-8-4(2)5(6)7/h1-5H,6H2,8H6;3*2-3H2,1H3,(H,6,7)/q+3;;;/p-3
InChIKeySQXQFKWJYMTOJY-UHFFFAOYSA-K
MW470.59 g/mol
LogP-2.39
Rot. Bonds10

About benzylsilicon(3+);tris(2-ethoxyprop-2-enoate)

benzylsilicon(3+);tris(2-ethoxyprop-2-enoate) (PubChem CID 70416724) has the molecular formula C22H34O9Si and a molecular weight of 470.59 g/mol. Its IUPAC name is benzylsilicon(3+);tris(2-ethoxyprop-2-enoate).

Molecular Properties

Compound Namebenzylsilicon(3+);tris(2-ethoxyprop-2-enoate)
PubChem CID70416724
Molecular FormulaC22H34O9Si
Molecular Weight470.59 g/mol
Exact Mass470.20
IUPAC Namebenzylsilicon(3+);tris(2-ethoxyprop-2-enoate)
SMILESC=C(OCC)C(=O)[O-].C=C(OCC)C(=O)[O-].C=C(OCC)C(=O)[O-].[SiH6+3]Cc1ccccc1
InChIInChI=1S/C7H13Si.3C5H8O3/c8-6-7-4-2-1-3-5-7;3*1-3-8-4(2)5(6)7/h1-5H,6H2,8H6;3*2-3H2,1H3,(H,6,7)/q+3;;;/p-3
InChIKeySQXQFKWJYMTOJY-UHFFFAOYSA-K
XLogP-2.39
TPSA148.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-phenylacetate
CID 7590
benzoyl benzoate;2-ethoxyprop-2-enoic acid
CID 175592406
1-ethoxyethenyl 2-phenylacetate
CID 11264222
ethyl 2-phenylacetate;hydrate
CID 141257001
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180
2-phenylmethoxyprop-2-enoic acid
CID 14954752
diethyl (2S)-2-benzylbutanedioate
CID 24748926
chloromethylbenzene;ethyl 2-aminoprop-2-enoate
CID 21263566
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
1-O-benzyl 4-O-ethyl 2-ethenylidenebutanedioate
CID 86074965
3,3-dibenzyl-4-ethoxypent-4-en-2-one
CID 12735122

Frequently Asked Questions

What is the IUPAC name of benzylsilicon(3+);tris(2-ethoxyprop-2-enoate)?
The IUPAC name of benzylsilicon(3+);tris(2-ethoxyprop-2-enoate) (CID 70416724) is benzylsilicon(3+);tris(2-ethoxyprop-2-enoate).
What is the SMILES notation for benzylsilicon(3+);tris(2-ethoxyprop-2-enoate)?
The canonical SMILES for benzylsilicon(3+);tris(2-ethoxyprop-2-enoate) is C=C(OCC)C(=O)[O-].C=C(OCC)C(=O)[O-].C=C(OCC)C(=O)[O-].[SiH6+3]Cc1ccccc1.
What is the InChIKey of benzylsilicon(3+);tris(2-ethoxyprop-2-enoate)?
The InChIKey is SQXQFKWJYMTOJY-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H13Si.3C5H8O3/c8-6-7-4-2-1-3-5-7;3*1-3-8-4(2)5(6)7/h1-5H,6H2,8H6;3*2-3H2,1H3,(H,6,7)/q+3;;;/p-3.
What are the key properties of benzylsilicon(3+);tris(2-ethoxyprop-2-enoate)?
benzylsilicon(3+);tris(2-ethoxyprop-2-enoate) has a molecular weight of 470.59 g/mol, XLogP of -2.39, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsilicon(3+);tris(2-ethoxyprop-2-enoate) is sourced from PubChem (CID 70416724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).