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

C14H28O4Si — CID 138975864

IUPACethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate
SMILESC=CC(O)C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28O4Si/c1-8-12(15)11(13(16)17-9-2)10-18-19(6,7)14(3,4)5/h8,11-12,15H,1,9-10H2,2-7H3
InChIKeyLMTLHOHYQAIPMW-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.73
Rot. Bonds7

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

ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate (PubChem CID 138975864) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate
PubChem CID138975864
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate
SMILESC=CC(O)C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28O4Si/c1-8-12(15)11(13(16)17-9-2)10-18-19(6,7)14(3,4)5/h8,11-12,15H,1,9-10H2,2-7H3
InChIKeyLMTLHOHYQAIPMW-UHFFFAOYSA-N
XLogP2.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-hydroxy-2-methylpent-4-enoate
CID 23372215
(S)-3-((tert-Butyldimethylsilyl)oxy)pent-4-enoic acid
CID 24938600
ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate
CID 57337738
Isobutyl erythro,threo-3-hydroxy-2-methyl-4-pentenoate
CID 73196157
Ethyl 3-hydroxy-2-(hydroxymethyl)pent-4-enoate
CID 138975863
Ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 138976074
(2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid
CID 10822622
2-methylpropyl (2R,3R)-3-hydroxy-2-methylpent-4-enoate
CID 15483290
propan-2-yl (2R,3S)-3-hydroxy-2-methylpent-4-enoate
CID 21635636
Ethyl 3-Hydroxy-2-methyl-4-pentenoate
CID 12712033
ethyl (2R,3R)-3-hydroxy-2-methylpent-4-enoate
CID 12712035
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate?
The IUPAC name of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate (CID 138975864) is ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate.
What is the SMILES notation for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate?
The canonical SMILES for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate is C=CC(O)C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate?
The InChIKey is LMTLHOHYQAIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-12(15)11(13(16)17-9-2)10-18-19(6,7)14(3,4)5/h8,11-12,15H,1,9-10H2,2-7H3.
What are the key properties of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate?
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate has a molecular weight of 288.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate is sourced from PubChem (CID 138975864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).