buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide

C22H35NOSi — CID 160643924

IUPACbuta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide
SMILESC=CC=C.CC(C)(C)C(N)=O.CC1=C(C)C([SiH](C)C)c2ccccc21
InChIInChI=1S/C13H18Si.C5H11NO.C4H6/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-5(2,3)4(6)7;1-3-4-2/h5-8,13-14H,1-4H3;1-3H3,(H2,6,7);3-4H,1-2H2
InChIKeyRJNNWVFQVYLTEX-UHFFFAOYSA-N
MW357.61 g/mol
LogP5.48
Rot. Bonds2

About buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide

buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide (PubChem CID 160643924) has the molecular formula C22H35NOSi and a molecular weight of 357.61 g/mol. Its IUPAC name is buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide.

Molecular Properties

Compound Namebuta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide
PubChem CID160643924
Molecular FormulaC22H35NOSi
Molecular Weight357.61 g/mol
Exact Mass357.25
IUPAC Namebuta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide
SMILESC=CC=C.CC(C)(C)C(N)=O.CC1=C(C)C([SiH](C)C)c2ccccc21
InChIInChI=1S/C13H18Si.C5H11NO.C4H6/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-5(2,3)4(6)7;1-3-4-2/h5-8,13-14H,1-4H3;1-3H3,(H2,6,7);3-4H,1-2H2
InChIKeyRJNNWVFQVYLTEX-UHFFFAOYSA-N
XLogP5.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide 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

(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium
CID 162063708
CID 174824034
CID 174824034
bis(tert-butylazanide);dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane;penta-1,3-diene;titanium(2+)
CID 157465323
[[(1R)-1,3-dimethyl-1H-inden-2-yl]methylideneamino]urea
CID 7159362
chloro-(9H-fluoren-9-yl)-methylsilane
CID 91867940
1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene
CID 144847978
(2,3-dimethyl-1H-inden-1-yl)-trimethylsilane
CID 18766748
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide
CID 101103152
N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
CID 19366088
(2R)-2-amino-2-(2-ethenylphenyl)propanoic acid
CID 130657894
biphenylene;propan-2-one
CID 174440223
8-sulfanylidenebicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 150929243

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide?
The IUPAC name of buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide (CID 160643924) is buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide.
What is the SMILES notation for buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide?
The canonical SMILES for buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide is C=CC=C.CC(C)(C)C(N)=O.CC1=C(C)C([SiH](C)C)c2ccccc21.
What is the InChIKey of buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide?
The InChIKey is RJNNWVFQVYLTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Si.C5H11NO.C4H6/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-5(2,3)4(6)7;1-3-4-2/h5-8,13-14H,1-4H3;1-3H3,(H2,6,7);3-4H,1-2H2.
What are the key properties of buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide?
buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide has a molecular weight of 357.61 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide is sourced from PubChem (CID 160643924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).