[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane

C21H41BrOSi2 — CID 135020838

IUPAC[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
SMILESC=CCC(/C=C(\CC(=C)Br)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H41BrOSi2/c1-9-16-20(23-25(13-5,14-6)15-7)18-21(17-19(8)22)24(10-2,11-3)12-4/h9,18,20H,1,8,10-17H2,2-7H3/b21-18+
InChIKeyCSKGQNFWPQEZPU-DYTRJAOYSA-N
MW445.63 g/mol
LogP8.23
Rot. Bonds14

About [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane

[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane (PubChem CID 135020838) has the molecular formula C21H41BrOSi2 and a molecular weight of 445.63 g/mol. Its IUPAC name is [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane.

Molecular Properties

Compound Name[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
PubChem CID135020838
Molecular FormulaC21H41BrOSi2
Molecular Weight445.63 g/mol
Exact Mass444.19
IUPAC Name[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
SMILESC=CCC(/C=C(\CC(=C)Br)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H41BrOSi2/c1-9-16-20(23-25(13-5,14-6)15-7)18-21(17-19(8)22)24(10-2,11-3)12-4/h9,18,20H,1,8,10-17H2,2-7H3/b21-18+
InChIKeyCSKGQNFWPQEZPU-DYTRJAOYSA-N
XLogP8.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.63
LogP ≤ 58.23
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

triethyl-[(2E)-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 101567387
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane
CID 134945498
triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020837
triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane
CID 135020839
triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane
CID 135021189
triethyl-[(3E)-4-triethylsilylhepta-3,6-dien-2-yl]oxysilane
CID 135068616
triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane
CID 135068617
[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane
CID 146162999
[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
CID 164668977
1,5-cis,8-cis-Undecatriene-3,7-diol bis(trimethylsilyl)ether
CID 5366568
[(1R,6R)-3-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11683179
[(1R,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 16105055

Frequently Asked Questions

What is the IUPAC name of [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane?
The IUPAC name of [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane (CID 135020838) is [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane.
What is the SMILES notation for [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane?
The canonical SMILES for [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane is C=CCC(/C=C(\CC(=C)Br)[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane?
The InChIKey is CSKGQNFWPQEZPU-DYTRJAOYSA-N. The full InChI is InChI=1S/C21H41BrOSi2/c1-9-16-20(23-25(13-5,14-6)15-7)18-21(17-19(8)22)24(10-2,11-3)12-4/h9,18,20H,1,8,10-17H2,2-7H3/b21-18+.
What are the key properties of [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane?
[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane has a molecular weight of 445.63 g/mol, XLogP of 8.23, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane is sourced from PubChem (CID 135020838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).