3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate

C15H25IO3Si — CID 46939260

IUPAC3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate
SMILESC=CCC(CCOC(=O)CC/C=C\I)O[Si](C)(C)C=C
InChIInChI=1S/C15H25IO3Si/c1-5-9-14(19-20(3,4)6-2)11-13-18-15(17)10-7-8-12-16/h5-6,8,12,14H,1-2,7,9-11,13H2,3-4H3/b12-8-
InChIKeyXTACZSXJUHNOML-WQLSENKSSA-N
MW408.35 g/mol
LogP4.54
Rot. Bonds11

About 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate

3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate (PubChem CID 46939260) has the molecular formula C15H25IO3Si and a molecular weight of 408.35 g/mol. Its IUPAC name is 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate.

Molecular Properties

Compound Name3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate
PubChem CID46939260
Molecular FormulaC15H25IO3Si
Molecular Weight408.35 g/mol
Exact Mass408.06
IUPAC Name3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate
SMILESC=CCC(CCOC(=O)CC/C=C\I)O[Si](C)(C)C=C
InChIInChI=1S/C15H25IO3Si/c1-5-9-14(19-20(3,4)6-2)11-13-18-15(17)10-7-8-12-16/h5-6,8,12,14H,1-2,7,9-11,13H2,3-4H3/b12-8-
InChIKeyXTACZSXJUHNOML-WQLSENKSSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72741311
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate
CID 10861578
Ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate
CID 10955806
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-5-enyl] 2,2-dimethylpropanoate
CID 11224448
ethyl (E,3S)-3-[diethyl(propan-2-yl)silyl]oxy-6-iodohex-5-enoate
CID 11315885
[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate
CID 11414961
1-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate
CID 46201682

Frequently Asked Questions

What is the IUPAC name of 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate?
The IUPAC name of 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate (CID 46939260) is 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate.
What is the SMILES notation for 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate?
The canonical SMILES for 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate is C=CCC(CCOC(=O)CC/C=C\I)O[Si](C)(C)C=C.
What is the InChIKey of 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate?
The InChIKey is XTACZSXJUHNOML-WQLSENKSSA-N. The full InChI is InChI=1S/C15H25IO3Si/c1-5-9-14(19-20(3,4)6-2)11-13-18-15(17)10-7-8-12-16/h5-6,8,12,14H,1-2,7,9-11,13H2,3-4H3/b12-8-.
What are the key properties of 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate?
3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate has a molecular weight of 408.35 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate is sourced from PubChem (CID 46939260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).