[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane

C14H27BrOSi — CID 101492997

IUPAC[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H](/C=C/C=C\CBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrOSi/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h8-11,13H,7,12H2,1-6H3/b10-8-,11-9+/t13-/m1/s1
InChIKeyICYISIBJXCXNOK-VAXKBXNHSA-N
MW319.36 g/mol
LogP5.29
Rot. Bonds6

About [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane

[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101492997) has the molecular formula C14H27BrOSi and a molecular weight of 319.36 g/mol. Its IUPAC name is [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101492997
Molecular FormulaC14H27BrOSi
Molecular Weight319.36 g/mol
Exact Mass318.10
IUPAC Name[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H](/C=C/C=C\CBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrOSi/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h8-11,13H,7,12H2,1-6H3/b10-8-,11-9+/t13-/m1/s1
InChIKeyICYISIBJXCXNOK-VAXKBXNHSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 55.29
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(3S,4Z)-nona-4,8-dien-3-yl]oxysilane
CID 11379815
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
tert-butyl-[(6E,8E)-deca-1,6,8-trien-5-yl]oxy-dimethylsilane
CID 134888524
[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane
CID 134987961
tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
CID 134993571
tert-butyl-dimethyl-[(3R,4E,6Z)-octa-4,6-dien-3-yl]oxysilane
CID 138982734
[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane
CID 146162894
[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
CID 164668977
[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
CID 164671391
[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane
CID 11208484
Tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane
CID 22643808
[(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 23584421

Frequently Asked Questions

What is the IUPAC name of [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane (CID 101492997) is [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane is CC[C@H](/C=C/C=C\CBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ICYISIBJXCXNOK-VAXKBXNHSA-N. The full InChI is InChI=1S/C14H27BrOSi/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h8-11,13H,7,12H2,1-6H3/b10-8-,11-9+/t13-/m1/s1.
What are the key properties of [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 319.36 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101492997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).