methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate

C30H60O6Si3 — CID 5377058

IUPACmethyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate
SMILESCCCCCC(/C=C/C1OC(C(C/C=C/CCCC(=O)OC)O[Si](C)(C)C)CC1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C30H60O6Si3/c1-12-13-16-19-25(34-37(3,4)5)22-23-26-29(36-39(9,10)11)24-28(33-26)27(35-38(6,7)8)20-17-14-15-18-21-30(31)32-2/h14,17,22-23,25-29H,12-13,15-16,18-21,24H2,1-11H3/b17-14+,23-22+
InChIKeyMYAQUYTZNVMJFW-NWRCAWGMSA-N
MW601.06 g/mol
LogP8.23
Rot. Bonds19

About methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate

methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate (PubChem CID 5377058) has the molecular formula C30H60O6Si3 and a molecular weight of 601.06 g/mol. Its IUPAC name is methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate.

Molecular Properties

Compound Namemethyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate
PubChem CID5377058
Molecular FormulaC30H60O6Si3
Molecular Weight601.06 g/mol
Exact Mass600.37
IUPAC Namemethyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate
SMILESCCCCCC(/C=C/C1OC(C(C/C=C/CCCC(=O)OC)O[Si](C)(C)C)CC1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C30H60O6Si3/c1-12-13-16-19-25(34-37(3,4)5)22-23-26-29(36-39(9,10)11)24-28(33-26)27(35-38(6,7)8)20-17-14-15-18-21-30(31)32-2/h14,17,22-23,25-29H,12-13,15-16,18-21,24H2,1-11H3/b17-14+,23-22+
InChIKeyMYAQUYTZNVMJFW-NWRCAWGMSA-N
XLogP8.23
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.06
LogP ≤ 58.23
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'}

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Launch Full Analysis

Related Compounds

[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl] acetate
CID 134885252
(3aR,4R,9S,10E,11aS)-9-[tert-butyl(dimethyl)silyl]oxy-4-heptyl-2,2-dimethyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-c]oxecin-6-one
CID 135023110
12-(5-Ethyl-2-tetrahydrofuranyl)-12-trimethylsilyloxy-9(Z)-dodecenoic acid,methyl ester
CID 5366685
Methyl (Z)-12,13-bis(trimethylsilyloxy)-11-methoxy-9-octadecenoate
CID 5366742
5-Octenoic acid, 8-[tetrahydro-4-[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-2-furanyl]-8-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 5371731
Methyl (13S)-(E)-13-trimethylsilyloxy-9,10-dimethoxy-11-octadecenoate
CID 5375614
methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate
CID 5376168
12-(5-Ethyl-2-tetrahydrofuranyl)-7,12-bis(trimethylsilyloxy)-9(Z)-dodecenoic acid,methyl ester
CID 5376673
2-Furanoctanoic acid, tetrahydro-eta,4-bis[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-, methyl ester
CID 5377100
2-Furanoctanoic acid, tetrahydro-eta,4-bis[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-, trimethylsilyl ester
CID 5378607
Methyl (11R,12R,13R)-(Z)-12-trimethylsilyloxy-11,13-dimethoxy-9-octadecenoate
CID 13234576
Z,Z,Z-5,8,19-Trihydroxyeicosa-5,8,11-trienoic acid, methyl ester, tris (trimethylsilyl) ether
CID 91696879

Frequently Asked Questions

What is the IUPAC name of methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate?
The IUPAC name of methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate (CID 5377058) is methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate.
What is the SMILES notation for methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate?
The canonical SMILES for methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate is CCCCCC(/C=C/C1OC(C(C/C=C/CCCC(=O)OC)O[Si](C)(C)C)CC1O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate?
The InChIKey is MYAQUYTZNVMJFW-NWRCAWGMSA-N. The full InChI is InChI=1S/C30H60O6Si3/c1-12-13-16-19-25(34-37(3,4)5)22-23-26-29(36-39(9,10)11)24-28(33-26)27(35-38(6,7)8)20-17-14-15-18-21-30(31)32-2/h14,17,22-23,25-29H,12-13,15-16,18-21,24H2,1-11H3/b17-14+,23-22+.
What are the key properties of methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate?
methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate has a molecular weight of 601.06 g/mol, XLogP of 8.23, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-[(E)-3-trimethylsilyloxyoct-1-enyl]oxolan-2-yl]oct-5-enoate is sourced from PubChem (CID 5377058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).