ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate

C16H30O3Si — CID 10827970

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate
SMILESC=CCC(C(=O)OCC)C(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-9-12-13(15(17)18-11-3)14(10-2)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3
InChIKeyLNXRKLGPXDPHQG-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.32
Rot. Bonds8

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate (PubChem CID 10827970) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate
PubChem CID10827970
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate
SMILESC=CCC(C(=O)OCC)C(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-9-12-13(15(17)18-11-3)14(10-2)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3
InChIKeyLNXRKLGPXDPHQG-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
Diethyl 2-(3-(triethoxysilyl)allyl)malonate
CID 129695873
[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate
CID 134870694
(3R,4S)-4-ethenyl-3-[(1S)-1-trimethylsilylethyl]oxetan-2-one
CID 134898159
Ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate
CID 138975864
Ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 138976074
methyl (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enoate
CID 101611852
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
(3s,4r)-3-Allyl-4-(tert-butyldimethylsilyloxy) tetrahydrofuran-2-one
CID 11161185
Methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
CID 11558120

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate (CID 10827970) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate is C=CCC(C(=O)OCC)C(C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate?
The InChIKey is LNXRKLGPXDPHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-9-12-13(15(17)18-11-3)14(10-2)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate has a molecular weight of 298.50 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate is sourced from PubChem (CID 10827970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).