[(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane

C14H24BrClOSi — CID 154712251

IUPAC[(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC=CC(=C)/C(Cl)=C(/Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24BrClOSi/c1-8-11(2)13(16)12(15)9-10-17-18(6,7)14(3,4)5/h8H,1-2,9-10H2,3-7H3/b13-12-
InChIKeyXHNRMUVSVXNUFR-SEYXRHQNSA-N
MW351.79 g/mol
LogP5.99
Rot. Bonds6

About [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane

[(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 154712251) has the molecular formula C14H24BrClOSi and a molecular weight of 351.79 g/mol. Its IUPAC name is [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane
PubChem CID154712251
Molecular FormulaC14H24BrClOSi
Molecular Weight351.79 g/mol
Exact Mass350.05
IUPAC Name[(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC=CC(=C)/C(Cl)=C(/Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24BrClOSi/c1-8-11(2)13(16)12(15)9-10-17-18(6,7)14(3,4)5/h8H,1-2,9-10H2,3-7H3/b13-12-
InChIKeyXHNRMUVSVXNUFR-SEYXRHQNSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.79
LogP ≤ 55.99
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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Related Compounds

[(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 53330264
[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267055
[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane
CID 134987961
[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 135008495
[(3E)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 154712282
[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 53330262

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane (CID 154712251) is [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane is C=CC(=C)/C(Cl)=C(/Br)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is XHNRMUVSVXNUFR-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H24BrClOSi/c1-8-11(2)13(16)12(15)9-10-17-18(6,7)14(3,4)5/h8H,1-2,9-10H2,3-7H3/b13-12-.
What are the key properties of [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
[(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 351.79 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 154712251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).