oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane

C22H42O3Si2 — CID 102005538

IUPACoxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane
SMILESC=CCCCCCCCCC[Si](=O)O[Si](=O)CCCCCCCCCC=C
InChIInChI=1S/C22H42O3Si2/c1-3-5-7-9-11-13-15-17-19-21-26(23)25-27(24)22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2
InChIKeyJUWWAPGMWUPQSC-UHFFFAOYSA-N
MW410.75 g/mol
LogP7.45
Rot. Bonds22

About oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane

oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane (PubChem CID 102005538) has the molecular formula C22H42O3Si2 and a molecular weight of 410.75 g/mol. Its IUPAC name is oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane.

Molecular Properties

Compound Nameoxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane
PubChem CID102005538
Molecular FormulaC22H42O3Si2
Molecular Weight410.75 g/mol
Exact Mass410.27
IUPAC Nameoxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane
SMILESC=CCCCCCCCCC[Si](=O)O[Si](=O)CCCCCCCCCC=C
InChIInChI=1S/C22H42O3Si2/c1-3-5-7-9-11-13-15-17-19-21-26(23)25-27(24)22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2
InChIKeyJUWWAPGMWUPQSC-UHFFFAOYSA-N
XLogP7.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.75
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

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henicos-20-enal
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tridec-12-enal
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heptahexaconta-1,23,66-triene
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CID 164568303
azane;oct-1-ene;stibane
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Frequently Asked Questions

What is the IUPAC name of oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane?
The IUPAC name of oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane (CID 102005538) is oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane.
What is the SMILES notation for oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane?
The canonical SMILES for oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane is C=CCCCCCCCCC[Si](=O)O[Si](=O)CCCCCCCCCC=C.
What is the InChIKey of oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane?
The InChIKey is JUWWAPGMWUPQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3Si2/c1-3-5-7-9-11-13-15-17-19-21-26(23)25-27(24)22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2.
What are the key properties of oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane?
oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane has a molecular weight of 410.75 g/mol, XLogP of 7.45, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[oxo(undec-10-enyl)silyl]oxy-undec-10-enylsilane is sourced from PubChem (CID 102005538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).