[(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate

C35H54O6Si — CID 135071680

IUPAC[(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate
SMILESC=CCOC/C=C(/C)C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H]1CC(=C)C[C@@H](C=C)O1
InChIInChI=1S/C35H54O6Si/c1-11-20-38-21-19-28(4)23-33(26-39-42(9,10)35(6,7)8)41-34(37)18-13-15-27(3)22-30(36)16-14-17-32-25-29(5)24-31(12-2)40-32/h11-16,18-19,31-33H,1-2,5,17,20-26H2,3-4,6-10H3/b16-14+,18-13+,27-15-,28-19-/t31-,32+,33-/m1/s1
InChIKeySOQZBQBFXOWXQY-CCPSTVJPSA-N
MW598.90 g/mol
LogP8.16
Rot. Bonds18

About [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate

[(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate (PubChem CID 135071680) has the molecular formula C35H54O6Si and a molecular weight of 598.90 g/mol. Its IUPAC name is [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate.

Molecular Properties

Compound Name[(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate
PubChem CID135071680
Molecular FormulaC35H54O6Si
Molecular Weight598.90 g/mol
Exact Mass598.37
IUPAC Name[(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate
SMILESC=CCOC/C=C(/C)C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H]1CC(=C)C[C@@H](C=C)O1
InChIInChI=1S/C35H54O6Si/c1-11-20-38-21-19-28(4)23-33(26-39-42(9,10)35(6,7)8)41-34(37)18-13-15-27(3)22-30(36)16-14-17-32-25-29(5)24-31(12-2)40-32/h11-16,18-19,31-33H,1-2,5,17,20-26H2,3-4,6-10H3/b16-14+,18-13+,27-15-,28-19-/t31-,32+,33-/m1/s1
InChIKeySOQZBQBFXOWXQY-CCPSTVJPSA-N
XLogP8.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.90
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate with MolForge

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Related Compounds

[(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]pent-4-en-2-yl] (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylnona-2,4,8-trienoate
CID 102175238
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]pent-4-en-2-ol
CID 11187729
[(E,2R,3R)-6-[(2R,6R)-6-[(2E,4R,6Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylocta-2,6-dienyl]-4-methylideneoxan-2-yl]-1-[(3,4-dimethoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxy]-5-methylhex-5-en-3-yl] 2-diethoxyphosphorylacetate
CID 101200694
[(E,2S)-5-iodo-4-methylpent-4-en-2-yl] (E,5S)-5-[2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoyloxypropyl]-1,3-thiazol-4-yl]hex-2-enoate
CID 102009069
methyl 4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-enoate
CID 91549267
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
CID 125487080
methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]hex-2-enoate
CID 11234824
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one
CID 135023286
[(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate
CID 11262844
tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane;4-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate;3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-O-[3-hydroxy-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate
CID 159218956
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081

Frequently Asked Questions

What is the IUPAC name of [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate?
The IUPAC name of [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate (CID 135071680) is [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate.
What is the SMILES notation for [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate?
The canonical SMILES for [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate is C=CCOC/C=C(/C)C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H]1CC(=C)C[C@@H](C=C)O1.
What is the InChIKey of [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate?
The InChIKey is SOQZBQBFXOWXQY-CCPSTVJPSA-N. The full InChI is InChI=1S/C35H54O6Si/c1-11-20-38-21-19-28(4)23-33(26-39-42(9,10)35(6,7)8)41-34(37)18-13-15-27(3)22-30(36)16-14-17-32-25-29(5)24-31(12-2)40-32/h11-16,18-19,31-33H,1-2,5,17,20-26H2,3-4,6-10H3/b16-14+,18-13+,27-15-,28-19-/t31-,32+,33-/m1/s1.
What are the key properties of [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate?
[(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate has a molecular weight of 598.90 g/mol, XLogP of 8.16, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-prop-2-enoxyhex-4-en-2-yl] (2E,4Z,8E)-10-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]-5-methyl-7-oxodeca-2,4,8-trienoate is sourced from PubChem (CID 135071680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).