ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate

C16H30O5Si — CID 138976074

IUPACethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
SMILESC=CC(OC(C)=O)C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C16H30O5Si/c1-9-14(21-12(3)17)13(15(18)19-10-2)11-20-22(7,8)16(4,5)6/h9,13-14H,1,10-11H2,2-8H3
InChIKeyLWMZNSQEDZQBBK-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.31
Rot. Bonds8

About ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate

ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate (PubChem CID 138976074) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
PubChem CID138976074
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Nameethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
SMILESC=CC(OC(C)=O)C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C16H30O5Si/c1-9-14(21-12(3)17)13(15(18)19-10-2)11-20-22(7,8)16(4,5)6/h9,13-14H,1,10-11H2,2-8H3
InChIKeyLWMZNSQEDZQBBK-UHFFFAOYSA-N
XLogP3.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
diethyl 2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 12741310
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
diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
CID 134981047
Ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate
CID 138975864
[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 139261291
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
CID 56925503
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
CID 11558120
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate?
The IUPAC name of ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate (CID 138976074) is ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate.
What is the SMILES notation for ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate?
The canonical SMILES for ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate is C=CC(OC(C)=O)C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate?
The InChIKey is LWMZNSQEDZQBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-9-14(21-12(3)17)13(15(18)19-10-2)11-20-22(7,8)16(4,5)6/h9,13-14H,1,10-11H2,2-8H3.
What are the key properties of ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate?
ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate has a molecular weight of 330.50 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate is sourced from PubChem (CID 138976074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).