2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate

C13H21IO3Si — CID 46939261

IUPAC2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate
SMILESC[Si]1(C)C=CCC(CCOC(=O)CC/C=C\I)O1
InChIInChI=1S/C13H21IO3Si/c1-18(2)11-5-6-12(17-18)8-10-16-13(15)7-3-4-9-14/h4-5,9,11-12H,3,6-8,10H2,1-2H3/b9-4-
InChIKeyRMCWMLBSGBFNMZ-WTKPLQERSA-N
MW380.30 g/mol
LogP3.74
Rot. Bonds6

About 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate

2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate (PubChem CID 46939261) has the molecular formula C13H21IO3Si and a molecular weight of 380.30 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate.

Molecular Properties

Compound Name2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate
PubChem CID46939261
Molecular FormulaC13H21IO3Si
Molecular Weight380.30 g/mol
Exact Mass380.03
IUPAC Name2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate
SMILESC[Si]1(C)C=CCC(CCOC(=O)CC/C=C\I)O1
InChIInChI=1S/C13H21IO3Si/c1-18(2)11-5-6-12(17-18)8-10-16-13(15)7-3-4-9-14/h4-5,9,11-12H,3,6-8,10H2,1-2H3/b9-4-
InChIKeyRMCWMLBSGBFNMZ-WTKPLQERSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 53.74
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'}

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Related Compounds

Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
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
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
[(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
[(3R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl] butanoate
CID 46201683
3-[ethenyl(dimethyl)silyl]oxyhex-5-enyl (Z)-5-iodopent-4-enoate
CID 46939260
[(4S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] pent-4-enoate
CID 102401488
ethyl (Z,3S)-3-[diethyl(propan-2-yl)silyl]oxy-6-iodohex-5-enoate
CID 177565077

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate?
The IUPAC name of 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate (CID 46939261) is 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate.
What is the SMILES notation for 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate?
The canonical SMILES for 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate is C[Si]1(C)C=CCC(CCOC(=O)CC/C=C\I)O1.
What is the InChIKey of 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate?
The InChIKey is RMCWMLBSGBFNMZ-WTKPLQERSA-N. The full InChI is InChI=1S/C13H21IO3Si/c1-18(2)11-5-6-12(17-18)8-10-16-13(15)7-3-4-9-14/h4-5,9,11-12H,3,6-8,10H2,1-2H3/b9-4-.
What are the key properties of 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate?
2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate has a molecular weight of 380.30 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5,6-dihydrooxasilin-6-yl)ethyl (Z)-5-iodopent-4-enoate is sourced from PubChem (CID 46939261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).