[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane

C15H14Br2Si — CID 14937077

IUPAC[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#Cc1ccccc1)=C(Br)Br
InChIInChI=1S/C15H14Br2Si/c1-18(2,3)12-11-14(15(16)17)10-9-13-7-5-4-6-8-13/h4-8H,1-3H3
InChIKeyOBHUUJUWCSXKTL-UHFFFAOYSA-N
MW382.17 g/mol
LogP4.92
Rot. Bonds

About [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane

[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 14937077) has the molecular formula C15H14Br2Si and a molecular weight of 382.17 g/mol. Its IUPAC name is [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane
PubChem CID14937077
Molecular FormulaC15H14Br2Si
Molecular Weight382.17 g/mol
Exact Mass379.92
IUPAC Name[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#Cc1ccccc1)=C(Br)Br
InChIInChI=1S/C15H14Br2Si/c1-18(2,3)12-11-14(15(16)17)10-9-13-7-5-4-6-8-13/h4-8H,1-3H3
InChIKeyOBHUUJUWCSXKTL-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane
CID 11235809
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
CID 11079621
8-[4-(dimethylamino)phenyl]-6-[2-[4-(dimethylamino)phenyl]ethynyl]-5-(2-trimethylsilylethynyl)octa-1,5-dien-3,7-diyne-1,1,2-tricarbonitrile
CID 102158110
trimethyl-[(3Z,5Z)-6-methyl-8-phenylocta-3,5-dien-1,7-diynyl]silane
CID 10659305
[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14935770
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane
CID 101176241
trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane
CID 10972309
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane
CID 11822267
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469

Frequently Asked Questions

What is the IUPAC name of [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane (CID 14937077) is [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane is C[Si](C)(C)C#CC(C#Cc1ccccc1)=C(Br)Br.
What is the InChIKey of [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is OBHUUJUWCSXKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2Si/c1-18(2,3)12-11-14(15(16)17)10-9-13-7-5-4-6-8-13/h4-8H,1-3H3.
What are the key properties of [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane?
[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 382.17 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 14937077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).