hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc

C23H54O7Si2Zn — CID 158874177

IUPAChydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc
SMILESC.CCCCCCCCCCCCCCCCCC(=O)O.CO[Si](C)(O)O[Si](C)(O)OC.[Zn]
InChIInChI=1S/C18H36O2.C4H14O5Si2.CH4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7-10(3,5)9-11(4,6)8-2;;/h2-17H2,1H3,(H,19,20);5-6H,1-4H3;1H4;
InChIKeyGAPXHCQPIJZVBO-UHFFFAOYSA-N
MW564.24 g/mol
LogP6.38
Rot. Bonds20

About hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc

hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc (PubChem CID 158874177) has the molecular formula C23H54O7Si2Zn and a molecular weight of 564.24 g/mol. Its IUPAC name is hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc.

Molecular Properties

Compound Namehydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc
PubChem CID158874177
Molecular FormulaC23H54O7Si2Zn
Molecular Weight564.24 g/mol
Exact Mass562.27
IUPAC Namehydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc
SMILESC.CCCCCCCCCCCCCCCCCC(=O)O.CO[Si](C)(O)O[Si](C)(O)OC.[Zn]
InChIInChI=1S/C18H36O2.C4H14O5Si2.CH4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7-10(3,5)9-11(4,6)8-2;;/h2-17H2,1H3,(H,19,20);5-6H,1-4H3;1H4;
InChIKeyGAPXHCQPIJZVBO-UHFFFAOYSA-N
XLogP6.38
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.24
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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iron;octadecanoic acid;zinc
CID 173220720
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ethane;methane;octadecanoic acid
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hexakis(octadecanoic acid);zinc;zirconium
CID 138753420
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc?
The IUPAC name of hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc (CID 158874177) is hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc.
What is the SMILES notation for hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc?
The canonical SMILES for hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc is C.CCCCCCCCCCCCCCCCCC(=O)O.CO[Si](C)(O)O[Si](C)(O)OC.[Zn].
What is the InChIKey of hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc?
The InChIKey is GAPXHCQPIJZVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C4H14O5Si2.CH4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7-10(3,5)9-11(4,6)8-2;;/h2-17H2,1H3,(H,19,20);5-6H,1-4H3;1H4;.
What are the key properties of hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc?
hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc has a molecular weight of 564.24 g/mol, XLogP of 6.38, 20 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;methane;octadecanoic acid;zinc is sourced from PubChem (CID 158874177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).