ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate

C22H29NO2Si — CID 102271240

IUPACethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate
SMILESCCCC/C(=C/[Si](C)(C)c1ccccn1)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C22H29NO2Si/c1-5-7-10-20(17-26(3,4)21-11-8-9-16-23-21)18-12-14-19(15-13-18)22(24)25-6-2/h8-9,11-17H,5-7,10H2,1-4H3/b20-17-
InChIKeyMTBHUITYOBXSGT-JZJYNLBNSA-N
MW367.57 g/mol
LogP4.99
Rot. Bonds8

About ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate

ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate (PubChem CID 102271240) has the molecular formula C22H29NO2Si and a molecular weight of 367.57 g/mol. Its IUPAC name is ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate
PubChem CID102271240
Molecular FormulaC22H29NO2Si
Molecular Weight367.57 g/mol
Exact Mass367.20
IUPAC Nameethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate
SMILESCCCC/C(=C/[Si](C)(C)c1ccccn1)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C22H29NO2Si/c1-5-7-10-20(17-26(3,4)21-11-8-9-16-23-21)18-12-14-19(15-13-18)22(24)25-6-2/h8-9,11-17H,5-7,10H2,1-4H3/b20-17-
InChIKeyMTBHUITYOBXSGT-JZJYNLBNSA-N
XLogP4.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(E)-dec-5-en-5-yl]benzoate
CID 102307363
ethyl 4-[(Z)-1-phenylhept-1-en-2-yl]benzoate
CID 23658634
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
ethyl pyridine-2-carboxylate
CID 17307
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
ethyl benzoate;toluene
CID 23150750
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
CID 158970570
CID 158970570
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
hexyl 4-pyridin-2-ylbenzoate
CID 132598707
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate?
The IUPAC name of ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate (CID 102271240) is ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate?
The canonical SMILES for ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate is CCCC/C(=C/[Si](C)(C)c1ccccn1)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate?
The InChIKey is MTBHUITYOBXSGT-JZJYNLBNSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-5-7-10-20(17-26(3,4)21-11-8-9-16-23-21)18-12-14-19(15-13-18)22(24)25-6-2/h8-9,11-17H,5-7,10H2,1-4H3/b20-17-.
What are the key properties of ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate?
ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate has a molecular weight of 367.57 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(Z)-1-[dimethyl(pyridin-2-yl)silyl]hex-1-en-2-yl]benzoate is sourced from PubChem (CID 102271240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).