[(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate

C32H72O8Si6 — CID 160969876

IUPAC[(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate
SMILESC=C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](C)(CC)O[Si](C)(CC/C=C/CC(O)CC(O)CC(CCC)OC(C)=O)O[SiH](C)CC
InChIInChI=1S/C32H72O8Si6/c1-15-22-32(36-29(5)33)28-31(35)27-30(34)23-20-19-21-24-46(14,37-41(6)16-2)40-45(13,18-4)26-25-43(9,10)39-44(11,12)38-42(7,8)17-3/h17,19-20,30-32,34-35,41H,3,15-16,18,21-28H2,1-2,4-14H3/b20-19+
InChIKeySYCODDXXVLDHHF-FMQUCBEESA-N
MW753.44 g/mol
LogP8.50
Rot. Bonds26

About [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate

[(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate (PubChem CID 160969876) has the molecular formula C32H72O8Si6 and a molecular weight of 753.44 g/mol. Its IUPAC name is [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate.

Molecular Properties

Compound Name[(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate
PubChem CID160969876
Molecular FormulaC32H72O8Si6
Molecular Weight753.44 g/mol
Exact Mass752.38
IUPAC Name[(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate
SMILESC=C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](C)(CC)O[Si](C)(CC/C=C/CC(O)CC(O)CC(CCC)OC(C)=O)O[SiH](C)CC
InChIInChI=1S/C32H72O8Si6/c1-15-22-32(36-29(5)33)28-31(35)27-30(34)23-20-19-21-24-46(14,37-41(6)16-2)40-45(13,18-4)26-25-43(9,10)39-44(11,12)38-42(7,8)17-3/h17,19-20,30-32,34-35,41H,3,15-16,18,21-28H2,1-2,4-14H3/b20-19+
InChIKeySYCODDXXVLDHHF-FMQUCBEESA-N
XLogP8.50
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.44
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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 [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate?
The IUPAC name of [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate (CID 160969876) is [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate.
What is the SMILES notation for [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate?
The canonical SMILES for [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate is C=C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](C)(CC)O[Si](C)(CC/C=C/CC(O)CC(O)CC(CCC)OC(C)=O)O[SiH](C)CC.
What is the InChIKey of [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate?
The InChIKey is SYCODDXXVLDHHF-FMQUCBEESA-N. The full InChI is InChI=1S/C32H72O8Si6/c1-15-22-32(36-29(5)33)28-31(35)27-30(34)23-20-19-21-24-46(14,37-41(6)16-2)40-45(13,18-4)26-25-43(9,10)39-44(11,12)38-42(7,8)17-3/h17,19-20,30-32,34-35,41H,3,15-16,18,21-28H2,1-2,4-14H3/b20-19+.
What are the key properties of [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate?
[(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate has a molecular weight of 753.44 g/mol, XLogP of 8.50, 26 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate is sourced from PubChem (CID 160969876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).