[(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane

C13H25BrSi — CID 164665145

IUPAC[(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane
SMILESC=C/C(Br)=C/[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H25BrSi/c1-8-13(14)9-15(10(2)3,11(4)5)12(6)7/h8-12H,1H2,2-7H3/b13-9-
InChIKeyQCJNCUCZRRKBSD-LCYFTJDESA-N
MW289.33 g/mol
LogP5.67
Rot. Bonds5

About [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane

[(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane (PubChem CID 164665145) has the molecular formula C13H25BrSi and a molecular weight of 289.33 g/mol. Its IUPAC name is [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane
PubChem CID164665145
Molecular FormulaC13H25BrSi
Molecular Weight289.33 g/mol
Exact Mass288.09
IUPAC Name[(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane
SMILESC=C/C(Br)=C/[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H25BrSi/c1-8-13(14)9-15(10(2)3,11(4)5)12(6)7/h8-12H,1H2,2-7H3/b13-9-
InChIKeyQCJNCUCZRRKBSD-LCYFTJDESA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.33
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-2-bromo-N,N-dimethylbuta-1,3-dien-1-amine
CID 153037895
(1Z)-2-bromo-1-iodobuta-1,3-diene
CID 23262778
1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine
CID 129156946
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
[butyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900059
tri(propan-2-yl)silylformaldehyde
CID 15681841
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene
CID 101047839
(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
CID 144847010
[octadecyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900076
[(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane
CID 102245944

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane?
The IUPAC name of [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane (CID 164665145) is [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane is C=C/C(Br)=C/[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane?
The InChIKey is QCJNCUCZRRKBSD-LCYFTJDESA-N. The full InChI is InChI=1S/C13H25BrSi/c1-8-13(14)9-15(10(2)3,11(4)5)12(6)7/h8-12H,1H2,2-7H3/b13-9-.
What are the key properties of [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane?
[(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane has a molecular weight of 289.33 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 164665145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).