triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate

C17H30O4Si — CID 172761979

IUPACtriethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate
SMILESC=C(C)C(=O)OCCCC=C(C)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H30O4Si/c1-7-22(8-2,9-3)21-17(19)15(6)12-10-11-13-20-16(18)14(4)5/h12H,4,7-11,13H2,1-3,5-6H3
InChIKeyLUQIKHPISNDQNP-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.38
Rot. Bonds10

About triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate

triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate (PubChem CID 172761979) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate.

Molecular Properties

Compound Nametriethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate
PubChem CID172761979
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Nametriethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate
SMILESC=C(C)C(=O)OCCCC=C(C)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H30O4Si/c1-7-22(8-2,9-3)21-17(19)15(6)12-10-11-13-20-16(18)14(4)5/h12H,4,7-11,13H2,1-3,5-6H3
InChIKeyLUQIKHPISNDQNP-UHFFFAOYSA-N
XLogP4.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
CID 13442959
CID 13442959
Tert-butyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093067
Ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093069
ethyl (E,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethoxymethyl]-2-methylhex-2-enoate
CID 44477892
(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-2,3-dihydropyran-6-one
CID 46180224
ethyl (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-enoate
CID 49788313
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate?
The IUPAC name of triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate (CID 172761979) is triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate.
What is the SMILES notation for triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate?
The canonical SMILES for triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate is C=C(C)C(=O)OCCCC=C(C)C(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate?
The InChIKey is LUQIKHPISNDQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-22(8-2,9-3)21-17(19)15(6)12-10-11-13-20-16(18)14(4)5/h12H,4,7-11,13H2,1-3,5-6H3.
What are the key properties of triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate?
triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate has a molecular weight of 326.51 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate is sourced from PubChem (CID 172761979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).