4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane

C27H53BrO2Si — CID 178118565

IUPAC4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane
SMILESCCCCC/C=C\CCC(C)O[Si](C)(CCCCBr)OC(C)CC/C=C\CCCCC
InChIInChI=1S/C27H53BrO2Si/c1-6-8-10-12-14-16-18-22-26(3)29-31(5,25-21-20-24-28)30-27(4)23-19-17-15-13-11-9-7-2/h14-17,26-27H,6-13,18-25H2,1-5H3/b16-14-,17-15-
InChIKeyYAWHVZURNHYPTC-RYOQUFEFSA-N
MW517.71 g/mol
LogP9.88
Rot. Bonds22

About 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane

4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane (PubChem CID 178118565) has the molecular formula C27H53BrO2Si and a molecular weight of 517.71 g/mol. Its IUPAC name is 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane.

Molecular Properties

Compound Name4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane
PubChem CID178118565
Molecular FormulaC27H53BrO2Si
Molecular Weight517.71 g/mol
Exact Mass516.30
IUPAC Name4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane
SMILESCCCCC/C=C\CCC(C)O[Si](C)(CCCCBr)OC(C)CC/C=C\CCCCC
InChIInChI=1S/C27H53BrO2Si/c1-6-8-10-12-14-16-18-22-26(3)29-31(5,25-21-20-24-28)30-27(4)23-19-17-15-13-11-9-7-2/h14-17,26-27H,6-13,18-25H2,1-5H3/b16-14-,17-15-
InChIKeyYAWHVZURNHYPTC-RYOQUFEFSA-N
XLogP9.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.71
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane?
The IUPAC name of 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane (CID 178118565) is 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane.
What is the SMILES notation for 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane?
The canonical SMILES for 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane is CCCCC/C=C\CCC(C)O[Si](C)(CCCCBr)OC(C)CC/C=C\CCCCC.
What is the InChIKey of 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane?
The InChIKey is YAWHVZURNHYPTC-RYOQUFEFSA-N. The full InChI is InChI=1S/C27H53BrO2Si/c1-6-8-10-12-14-16-18-22-26(3)29-31(5,25-21-20-24-28)30-27(4)23-19-17-15-13-11-9-7-2/h14-17,26-27H,6-13,18-25H2,1-5H3/b16-14-,17-15-.
What are the key properties of 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane?
4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane has a molecular weight of 517.71 g/mol, XLogP of 9.88, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl-methyl-bis[[(Z)-undec-5-en-2-yl]oxy]silane is sourced from PubChem (CID 178118565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).