ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate

C16H32O2Si — CID 139263415

IUPACethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate
SMILESC=CC(CCC(=O)OCC)C(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-14(11-12-15(17)18-10-2)13(3)19(7,8)16(4,5)6/h9,13-14H,1,10-12H2,2-8H3
InChIKeyJGXLUDBKCVFBSM-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.03
Rot. Bonds7

About ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate

ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate (PubChem CID 139263415) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate.

Molecular Properties

Compound Nameethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate
PubChem CID139263415
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nameethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate
SMILESC=CC(CCC(=O)OCC)C(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-14(11-12-15(17)18-10-2)13(3)19(7,8)16(4,5)6/h9,13-14H,1,10-12H2,2-8H3
InChIKeyJGXLUDBKCVFBSM-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate?
The IUPAC name of ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate (CID 139263415) is ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate.
What is the SMILES notation for ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate?
The canonical SMILES for ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate is C=CC(CCC(=O)OCC)C(C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate?
The InChIKey is JGXLUDBKCVFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-14(11-12-15(17)18-10-2)13(3)19(7,8)16(4,5)6/h9,13-14H,1,10-12H2,2-8H3.
What are the key properties of ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate?
ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate has a molecular weight of 284.52 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate is sourced from PubChem (CID 139263415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).