[4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate

C16H23ClO3Si — CID 171535419

IUPAC[4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC(CC)[Si](C)(C)Cl)cc1
InChIInChI=1S/C16H23ClO3Si/c1-6-15(21(4,5)17)11-19-13-7-9-14(10-8-13)20-16(18)12(2)3/h7-10,15H,2,6,11H2,1,3-5H3
InChIKeyDINFOZQKGPINIB-UHFFFAOYSA-N
MW326.90 g/mol
LogP4.77
Rot. Bonds7

About [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate

[4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate (PubChem CID 171535419) has the molecular formula C16H23ClO3Si and a molecular weight of 326.90 g/mol. Its IUPAC name is [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate
PubChem CID171535419
Molecular FormulaC16H23ClO3Si
Molecular Weight326.90 g/mol
Exact Mass326.11
IUPAC Name[4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC(CC)[Si](C)(C)Cl)cc1
InChIInChI=1S/C16H23ClO3Si/c1-6-15(21(4,5)17)11-19-13-7-9-14(10-8-13)20-16(18)12(2)3/h7-10,15H,2,6,11H2,1,3-5H3
InChIKeyDINFOZQKGPINIB-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.90
LogP ≤ 54.77
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
CID 58862986
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
CID 89171123
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-[2-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenoxy]ethoxy]phenyl] 2-methylprop-2-enoate
CID 134370010
1,3-bis(4-ethylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322416
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
11-[4-[4-(2-methylbutoxy)phenyl]phenoxy]undecyl 2-methylprop-2-enoate
CID 101004555
[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366

Frequently Asked Questions

What is the IUPAC name of [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate (CID 171535419) is [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OCC(CC)[Si](C)(C)Cl)cc1.
What is the InChIKey of [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate?
The InChIKey is DINFOZQKGPINIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3Si/c1-6-15(21(4,5)17)11-19-13-7-9-14(10-8-13)20-16(18)12(2)3/h7-10,15H,2,6,11H2,1,3-5H3.
What are the key properties of [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate?
[4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate has a molecular weight of 326.90 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 171535419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).