methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate

C17H21ClO4Si — CID 139794138

IUPACmethyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate
SMILESCC[Si](C)(C)C#Cc1ccc(Cl)c(O/C(=C\OC)C(=O)OC)c1
InChIInChI=1S/C17H21ClO4Si/c1-6-23(4,5)10-9-13-7-8-14(18)15(11-13)22-16(12-20-2)17(19)21-3/h7-8,11-12H,6H2,1-5H3/b16-12-
InChIKeyNSIVFVDIJMKVIA-VBKFSLOCSA-N
MW352.89 g/mol
LogP4.00
Rot. Bonds5

About methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate

methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate (PubChem CID 139794138) has the molecular formula C17H21ClO4Si and a molecular weight of 352.89 g/mol. Its IUPAC name is methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate
PubChem CID139794138
Molecular FormulaC17H21ClO4Si
Molecular Weight352.89 g/mol
Exact Mass352.09
IUPAC Namemethyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate
SMILESCC[Si](C)(C)C#Cc1ccc(Cl)c(O/C(=C\OC)C(=O)OC)c1
InChIInChI=1S/C17H21ClO4Si/c1-6-23(4,5)10-9-13-7-8-14(18)15(11-13)22-16(12-20-2)17(19)21-3/h7-8,11-12H,6H2,1-5H3/b16-12-
InChIKeyNSIVFVDIJMKVIA-VBKFSLOCSA-N
XLogP4.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate?
The IUPAC name of methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate (CID 139794138) is methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate is CC[Si](C)(C)C#Cc1ccc(Cl)c(O/C(=C\OC)C(=O)OC)c1.
What is the InChIKey of methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate?
The InChIKey is NSIVFVDIJMKVIA-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H21ClO4Si/c1-6-23(4,5)10-9-13-7-8-14(18)15(11-13)22-16(12-20-2)17(19)21-3/h7-8,11-12H,6H2,1-5H3/b16-12-.
What are the key properties of methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate?
methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate has a molecular weight of 352.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[2-chloro-5-[2-[ethyl(dimethyl)silyl]ethynyl]phenoxy]-3-methoxyprop-2-enoate is sourced from PubChem (CID 139794138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).