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

C30H60O6Si3 — CID 618174

IUPACmethyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate
SMILESCCCCCC(C=CC1OC(C(CC=CCCCC(=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
InChIKeyMYAQUYTZNVMJFW-UHFFFAOYSA-N
MW601.06 g/mol
LogP8.23
Rot. Bonds19

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

methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate (PubChem CID 618174) has the molecular formula C30H60O6Si3 and a molecular weight of 601.06 g/mol. Its IUPAC name is methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate.

Molecular Properties

Compound Namemethyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate
PubChem CID618174
Molecular FormulaC30H60O6Si3
Molecular Weight601.06 g/mol
Exact Mass600.37
IUPAC Namemethyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate
SMILESCCCCCC(C=CC1OC(C(CC=CCCCC(=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
InChIKeyMYAQUYTZNVMJFW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate?
The IUPAC name of methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate (CID 618174) is methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate.
What is the SMILES notation for methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate?
The canonical SMILES for methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate is CCCCCC(C=CC1OC(C(CC=CCCCC(=O)OC)O[Si](C)(C)C)CC1O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate?
The InChIKey is MYAQUYTZNVMJFW-UHFFFAOYSA-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.
What are the key properties of methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate?
methyl 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(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 8-trimethylsilyloxy-8-[4-trimethylsilyloxy-5-(3-trimethylsilyloxyoct-1-enyl)oxolan-2-yl]oct-5-enoate is sourced from PubChem (CID 618174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).