ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate

C26H35NO4Si — CID 11144877

IUPACethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate
SMILESC=CCCC(C(=O)OCC)C(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO4Si/c1-7-9-20-23(25(29)30-8-2)24(28)27(6)31-32(26(3,4)5,21-16-12-10-13-17-21)22-18-14-11-15-19-22/h7,10-19,23H,1,8-9,20H2,2-6H3
InChIKeyKBTYJCVUPGPYEX-UHFFFAOYSA-N
MW453.66 g/mol
LogP4.08
Rot. Bonds10

About ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate

ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate (PubChem CID 11144877) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate.

Molecular Properties

Compound Nameethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate
PubChem CID11144877
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Nameethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate
SMILESC=CCCC(C(=O)OCC)C(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO4Si/c1-7-9-20-23(25(29)30-8-2)24(28)27(6)31-32(26(3,4)5,21-16-12-10-13-17-21)22-18-14-11-15-19-22/h7,10-19,23H,1,8-9,20H2,2-6H3
InChIKeyKBTYJCVUPGPYEX-UHFFFAOYSA-N
XLogP4.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate?
The IUPAC name of ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate (CID 11144877) is ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate.
What is the SMILES notation for ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate?
The canonical SMILES for ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate is C=CCCC(C(=O)OCC)C(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate?
The InChIKey is KBTYJCVUPGPYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-7-9-20-23(25(29)30-8-2)24(28)27(6)31-32(26(3,4)5,21-16-12-10-13-17-21)22-18-14-11-15-19-22/h7,10-19,23H,1,8-9,20H2,2-6H3.
What are the key properties of ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate?
ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate has a molecular weight of 453.66 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate is sourced from PubChem (CID 11144877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).