[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane

C14H27BrOSi — CID 135008495

IUPAC[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C(C)/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrOSi/c1-11(2)13(15)9-12(3)10-16-17(7,8)14(4,5)6/h9,12H,1,10H2,2-8H3/b13-9-/t12-/m1/s1
InChIKeyLXQDWCQQWNFMQL-FNWMBBJUSA-N
MW319.36 g/mol
LogP5.50
Rot. Bonds5

About [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane

[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 135008495) has the molecular formula C14H27BrOSi and a molecular weight of 319.36 g/mol. Its IUPAC name is [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
PubChem CID135008495
Molecular FormulaC14H27BrOSi
Molecular Weight319.36 g/mol
Exact Mass318.10
IUPAC Name[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C(C)/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27BrOSi/c1-11(2)13(15)9-12(3)10-16-17(7,8)14(4,5)6/h9,12H,1,10H2,2-8H3/b13-9-/t12-/m1/s1
InChIKeyLXQDWCQQWNFMQL-FNWMBBJUSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane (CID 135008495) is [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane is C=C(C)/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is LXQDWCQQWNFMQL-FNWMBBJUSA-N. The full InChI is InChI=1S/C14H27BrOSi/c1-11(2)13(15)9-12(3)10-16-17(7,8)14(4,5)6/h9,12H,1,10H2,2-8H3/b13-9-/t12-/m1/s1.
What are the key properties of [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane?
[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 319.36 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 135008495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).