[(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane

C14H20Br2OSi — CID 23584421

IUPAC[(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(=C\Br)/c(=C/Br)c1
InChIInChI=1S/C14H20Br2OSi/c1-14(2,3)18(4,5)17-13-7-6-11(9-15)12(8-13)10-16/h6-10H,1-5H3/b11-9+,12-10+
InChIKeyPOSMGWXPGYVKRJ-WGDLNXRISA-N
MW392.21 g/mol
LogP4.34
Rot. Bonds2

About [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane

[(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 23584421) has the molecular formula C14H20Br2OSi and a molecular weight of 392.21 g/mol. Its IUPAC name is [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID23584421
Molecular FormulaC14H20Br2OSi
Molecular Weight392.21 g/mol
Exact Mass389.97
IUPAC Name[(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(=C\Br)/c(=C/Br)c1
InChIInChI=1S/C14H20Br2OSi/c1-14(2,3)18(4,5)17-13-7-6-11(9-15)12(8-13)10-16/h6-10H,1-5H3/b11-9+,12-10+
InChIKeyPOSMGWXPGYVKRJ-WGDLNXRISA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane (CID 23584421) is [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(=C\Br)/c(=C/Br)c1.
What is the InChIKey of [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is POSMGWXPGYVKRJ-WGDLNXRISA-N. The full InChI is InChI=1S/C14H20Br2OSi/c1-14(2,3)18(4,5)17-13-7-6-11(9-15)12(8-13)10-16/h6-10H,1-5H3/b11-9+,12-10+.
What are the key properties of [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane?
[(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 392.21 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,4E)-3,4-bis(bromomethylidene)cyclohexa-1,5-dien-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 23584421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).