tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane

C15H28Br2OSi — CID 24777960

IUPACtert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
SMILESC/C(=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C)CC=C(Br)Br
InChIInChI=1S/C15H28Br2OSi/c1-12(8-9-14(16)17)10-13(2)11-18-19(6,7)15(3,4)5/h9-10,13H,8,11H2,1-7H3/b12-10-/t13-/m1/s1
InChIKeyGZGKRTNFXCPZTL-KXXVWKPMSA-N
MW412.28 g/mol
LogP6.61
Rot. Bonds6

About tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane

tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane (PubChem CID 24777960) has the molecular formula C15H28Br2OSi and a molecular weight of 412.28 g/mol. Its IUPAC name is tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
PubChem CID24777960
Molecular FormulaC15H28Br2OSi
Molecular Weight412.28 g/mol
Exact Mass410.03
IUPAC Nametert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
SMILESC/C(=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C)CC=C(Br)Br
InChIInChI=1S/C15H28Br2OSi/c1-12(8-9-14(16)17)10-13(2)11-18-19(6,7)15(3,4)5/h9-10,13H,8,11H2,1-7H3/b12-10-/t13-/m1/s1
InChIKeyGZGKRTNFXCPZTL-KXXVWKPMSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 56.61
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

tert-butyl-[(2R)-4,4-dibromo-2-methylbut-3-enoxy]-dimethylsilane
CID 10428447
tert-butyl-[(2S)-2,4-dimethylpent-3-enoxy]-dimethylsilane
CID 11514134
tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
CID 11594048
tert-butyl-dimethyl-[(3E)-6-methylhepta-3,6-dienoxy]silane
CID 15668717
[(2S)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane
CID 24740711
[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267057
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]-tri(propan-2-yl)silane
CID 101387052
bromozinc(1+);tert-butyl-dimethyl-[(2R)-2-methylpent-3-enoxy]silane
CID 134886773
tert-butyl-[(2S,3E)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
CID 134979997
[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 135008495
[(Z,3R)-5-(bromomethyl)-3-methylhept-4-enoxy]-tert-butyl-dimethylsilane
CID 101203636
[(E)-4-bromopent-3-enoxy]-tert-butyl-dimethylsilane
CID 46896151

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane (CID 24777960) is tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane is C/C(=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C)CC=C(Br)Br.
What is the InChIKey of tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane?
The InChIKey is GZGKRTNFXCPZTL-KXXVWKPMSA-N. The full InChI is InChI=1S/C15H28Br2OSi/c1-12(8-9-14(16)17)10-13(2)11-18-19(6,7)15(3,4)5/h9-10,13H,8,11H2,1-7H3/b12-10-/t13-/m1/s1.
What are the key properties of tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane?
tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane has a molecular weight of 412.28 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 24777960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).