[(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane

C16H31BrOSi — CID 10871738

IUPAC[(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane
SMILESC/C=C/CC[C@H](C/C=C(\C)Br)O[Si](CC)(CC)CC
InChIInChI=1S/C16H31BrOSi/c1-6-10-11-12-16(14-13-15(5)17)18-19(7-2,8-3)9-4/h6,10,13,16H,7-9,11-12,14H2,1-5H3/b10-6+,15-13+/t16-/m1/s1
InChIKeyJBBNTONQRYOVEV-VKPLJOKXSA-N
MW347.41 g/mol
LogP6.42
Rot. Bonds10

About [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane

[(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane (PubChem CID 10871738) has the molecular formula C16H31BrOSi and a molecular weight of 347.41 g/mol. Its IUPAC name is [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane
PubChem CID10871738
Molecular FormulaC16H31BrOSi
Molecular Weight347.41 g/mol
Exact Mass346.13
IUPAC Name[(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane
SMILESC/C=C/CC[C@H](C/C=C(\C)Br)O[Si](CC)(CC)CC
InChIInChI=1S/C16H31BrOSi/c1-6-10-11-12-16(14-13-15(5)17)18-19(7-2,8-3)9-4/h6,10,13,16H,7-9,11-12,14H2,1-5H3/b10-6+,15-13+/t16-/m1/s1
InChIKeyJBBNTONQRYOVEV-VKPLJOKXSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-3-Bromo-3-cyclopenten-1-YL tert-butyl(dimethyl)silyl ether
CID 10880391
Silane, (3-cyclohexen-1-yloxy)(1,1-dimethylethyl)dimethyl-
CID 13690674
trimethyl-[(E)-oct-6-en-4-yl]oxysilane
CID 20565136
[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane
CID 20640824
(6-Bromocyclohex-3-en-1-yl)oxy-trimethylsilane
CID 22013157
(RS)-3-bromo-3-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57038220
Trimethyl(oct-6-en-4-yloxy)silane
CID 57047258
Tert-butyl-(4,5-dibromocyclohex-3-en-1-yl)oxy-dimethylsilane
CID 101889353
Trimethyl(non-6-en-4-yloxy)silane
CID 140328260
tert-butyl-dimethyl-[(7E)-nona-1,7-dien-4-yl]oxysilane
CID 149890709
tert-butyl-dimethyl-[(Z,4R)-non-6-en-4-yl]oxysilane
CID 157533297
tert-butyl-[(4R,6Z,9Z)-dodeca-6,9-dien-4-yl]oxy-dimethylsilane
CID 161630919

Frequently Asked Questions

What is the IUPAC name of [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane?
The IUPAC name of [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane (CID 10871738) is [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane.
What is the SMILES notation for [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane?
The canonical SMILES for [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane is C/C=C/CC[C@H](C/C=C(\C)Br)O[Si](CC)(CC)CC.
What is the InChIKey of [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane?
The InChIKey is JBBNTONQRYOVEV-VKPLJOKXSA-N. The full InChI is InChI=1S/C16H31BrOSi/c1-6-10-11-12-16(14-13-15(5)17)18-19(7-2,8-3)9-4/h6,10,13,16H,7-9,11-12,14H2,1-5H3/b10-6+,15-13+/t16-/m1/s1.
What are the key properties of [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane?
[(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane has a molecular weight of 347.41 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5R,8E)-2-bromodeca-2,8-dien-5-yl]oxy-triethylsilane is sourced from PubChem (CID 10871738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).