methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate

C16H28O4Si — CID 139255323

IUPACmethyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate
SMILESCOC(=O)/C=C/C1(C)CC(O[Si](C)(C)C(C)(C)C)=CCO1
InChIInChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-13-9-11-19-16(4,12-13)10-8-14(17)18-5/h8-10H,11-12H2,1-7H3/b10-8+
InChIKeyPZKPYYNDYORWSA-CSKARUKUSA-N
MW312.48 g/mol
LogP3.80
Rot. Bonds4

About methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate

methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate (PubChem CID 139255323) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate
PubChem CID139255323
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namemethyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate
SMILESCOC(=O)/C=C/C1(C)CC(O[Si](C)(C)C(C)(C)C)=CCO1
InChIInChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-13-9-11-19-16(4,12-13)10-8-14(17)18-5/h8-10H,11-12H2,1-7H3/b10-8+
InChIKeyPZKPYYNDYORWSA-CSKARUKUSA-N
XLogP3.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3H-pyran-6-one
CID 11346276
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 14260361
ethyl (2E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhepta-2,6-dienoate
CID 42624978
tert-butyl (Z)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 46193207
(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
CID 53343689
diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate
CID 102597805
ethyl (E,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylhept-2-enoate
CID 134845345

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate (CID 139255323) is methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate is COC(=O)/C=C/C1(C)CC(O[Si](C)(C)C(C)(C)C)=CCO1.
What is the InChIKey of methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate?
The InChIKey is PZKPYYNDYORWSA-CSKARUKUSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-15(2,3)21(6,7)20-13-9-11-19-16(4,12-13)10-8-14(17)18-5/h8-10H,11-12H2,1-7H3/b10-8+.
What are the key properties of methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate?
methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate has a molecular weight of 312.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate is sourced from PubChem (CID 139255323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).