[(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane

C20H37BrOSi — CID 71492006

IUPAC[(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane
SMILESC=C(C)CCC/C(C)=C/[C@H](CC(=C)CBr)O[Si](CC)(CC)CC
InChIInChI=1S/C20H37BrOSi/c1-8-23(9-2,10-3)22-20(15-19(7)16-21)14-18(6)13-11-12-17(4)5/h14,20H,4,7-13,15-16H2,1-3,5-6H3/b18-14+/t20-/m1/s1
InChIKeyGOQFAJIAVFCZNG-WORNYLJVSA-N
MW401.51 g/mol
LogP7.41
Rot. Bonds13

About [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane

[(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane (PubChem CID 71492006) has the molecular formula C20H37BrOSi and a molecular weight of 401.51 g/mol. Its IUPAC name is [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane
PubChem CID71492006
Molecular FormulaC20H37BrOSi
Molecular Weight401.51 g/mol
Exact Mass400.18
IUPAC Name[(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane
SMILESC=C(C)CCC/C(C)=C/[C@H](CC(=C)CBr)O[Si](CC)(CC)CC
InChIInChI=1S/C20H37BrOSi/c1-8-23(9-2,10-3)22-20(15-19(7)16-21)14-18(6)13-11-12-17(4)5/h14,20H,4,7-13,15-16H2,1-3,5-6H3/b18-14+/t20-/m1/s1
InChIKeyGOQFAJIAVFCZNG-WORNYLJVSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

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CID 134953040
[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane
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[3-(Bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
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[(E)-1-bromonon-2-en-4-yl]oxy-tert-butyl-dimethylsilane
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[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948307
[(Z)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948308
[(5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 90956271
1-Bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane
CID 91349302
[(Z)-1-bromonon-2-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 153833868
18-Bromooctadec-6-en-5-yloxy-tert-butyl-dimethylsilane
CID 173200491
[(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane?
The IUPAC name of [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane (CID 71492006) is [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane?
The canonical SMILES for [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane is C=C(C)CCC/C(C)=C/[C@H](CC(=C)CBr)O[Si](CC)(CC)CC.
What is the InChIKey of [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane?
The InChIKey is GOQFAJIAVFCZNG-WORNYLJVSA-N. The full InChI is InChI=1S/C20H37BrOSi/c1-8-23(9-2,10-3)22-20(15-19(7)16-21)14-18(6)13-11-12-17(4)5/h14,20H,4,7-13,15-16H2,1-3,5-6H3/b18-14+/t20-/m1/s1.
What are the key properties of [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane?
[(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane has a molecular weight of 401.51 g/mol, XLogP of 7.41, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane is sourced from PubChem (CID 71492006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).