[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate

C17H25ClO3Si — CID 6429910

IUPAC[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate
SMILESC=CCOc1ccc(CC(=O)O[Si](C)(C)C(C)(C)C)cc1Cl
InChIInChI=1S/C17H25ClO3Si/c1-7-10-20-15-9-8-13(11-14(15)18)12-16(19)21-22(5,6)17(2,3)4/h7-9,11H,1,10,12H2,2-6H3
InChIKeyZDVORYVUQJYAMM-UHFFFAOYSA-N
MW340.92 g/mol
LogP5.00
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate

[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate (PubChem CID 6429910) has the molecular formula C17H25ClO3Si and a molecular weight of 340.92 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate
PubChem CID6429910
Molecular FormulaC17H25ClO3Si
Molecular Weight340.92 g/mol
Exact Mass340.13
IUPAC Name[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate
SMILESC=CCOc1ccc(CC(=O)O[Si](C)(C)C(C)(C)C)cc1Cl
InChIInChI=1S/C17H25ClO3Si/c1-7-10-20-15-9-8-13(11-14(15)18)12-16(19)21-22(5,6)17(2,3)4/h7-9,11H,1,10,12H2,2-6H3
InChIKeyZDVORYVUQJYAMM-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(3-chloro-4-prop-2-enoxyphenyl)acetyl]amino]acetate
CID 12796233
[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate
CID 91737540
2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid
CID 3534941
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
3-[(3-chloro-4-prop-2-enoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122046922
2-acetyloxybenzoic acid;2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid
CID 68674202
2-[[(3-chloro-4-prop-2-enoxyphenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128997
2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite
CID 89000806
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
2-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 111469460
1-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468776
sodium;2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173362845

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate (CID 6429910) is [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate is C=CCOc1ccc(CC(=O)O[Si](C)(C)C(C)(C)C)cc1Cl.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate?
The InChIKey is ZDVORYVUQJYAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO3Si/c1-7-10-20-15-9-8-13(11-14(15)18)12-16(19)21-22(5,6)17(2,3)4/h7-9,11H,1,10,12H2,2-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate?
[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate has a molecular weight of 340.92 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate is sourced from PubChem (CID 6429910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).