[bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane

C50H98OSi2 — CID 177387156

IUPAC[bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane
SMILESC=CCCCCCCCCCC[Si](C)(CCCCCCCCCCC=C)O[Si](C)(CCCCCCCCCCC=C)CCCCCCCCCCC=C
InChIInChI=1S/C50H98OSi2/c1-7-11-15-19-23-27-31-35-39-43-47-52(5,48-44-40-36-32-28-24-20-16-12-8-2)51-53(6,49-45-41-37-33-29-25-21-17-13-9-3)50-46-42-38-34-30-26-22-18-14-10-4/h7-10H,1-4,11-50H2,5-6H3
InChIKeyMDGIAVGTFPPRLV-UHFFFAOYSA-N
MW771.50 g/mol
LogP18.94
Rot. Bonds46

About [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane

[bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane (PubChem CID 177387156) has the molecular formula C50H98OSi2 and a molecular weight of 771.50 g/mol. Its IUPAC name is [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane.

Molecular Properties

Compound Name[bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane
PubChem CID177387156
Molecular FormulaC50H98OSi2
Molecular Weight771.50 g/mol
Exact Mass770.72
IUPAC Name[bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane
SMILESC=CCCCCCCCCCC[Si](C)(CCCCCCCCCCC=C)O[Si](C)(CCCCCCCCCCC=C)CCCCCCCCCCC=C
InChIInChI=1S/C50H98OSi2/c1-7-11-15-19-23-27-31-35-39-43-47-52(5,48-44-40-36-32-28-24-20-16-12-8-2)51-53(6,49-45-41-37-33-29-25-21-17-13-9-3)50-46-42-38-34-30-26-22-18-14-10-4/h7-10H,1-4,11-50H2,5-6H3
InChIKeyMDGIAVGTFPPRLV-UHFFFAOYSA-N
XLogP18.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds46
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.50
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

bis(hex-5-enyl)-methyl-trimethylsilyloxysilane
CID 22152516
bis(dodec-11-enyl)-dimethylsilane
CID 171781898
dimethoxy-methyl-octadec-17-enylsilane
CID 87930703
fluoro-dimethyl-tridec-12-enylsilane
CID 58758055
bis(dec-9-enyl)-ethyl-triethylsilyloxysilane
CID 87216599
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
diethoxy-methoxy-oct-7-enylsilane
CID 87214506
ethoxy-hex-5-enyl-dimethylsilane
CID 87088698
dichloro-methoxy-octadec-17-enylsilane
CID 18346316
docos-21-enyl-dihydroxy-methoxysilane
CID 123262992
tris(methylsilyloxy)-oct-7-enylsilane
CID 123850112

Frequently Asked Questions

What is the IUPAC name of [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane?
The IUPAC name of [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane (CID 177387156) is [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane.
What is the SMILES notation for [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane?
The canonical SMILES for [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane is C=CCCCCCCCCCC[Si](C)(CCCCCCCCCCC=C)O[Si](C)(CCCCCCCCCCC=C)CCCCCCCCCCC=C.
What is the InChIKey of [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane?
The InChIKey is MDGIAVGTFPPRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H98OSi2/c1-7-11-15-19-23-27-31-35-39-43-47-52(5,48-44-40-36-32-28-24-20-16-12-8-2)51-53(6,49-45-41-37-33-29-25-21-17-13-9-3)50-46-42-38-34-30-26-22-18-14-10-4/h7-10H,1-4,11-50H2,5-6H3.
What are the key properties of [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane?
[bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane has a molecular weight of 771.50 g/mol, XLogP of 18.94, 46 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane is sourced from PubChem (CID 177387156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).