methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate

C23H45NO2Si2 — CID 158540025

IUPACmethane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate
SMILESC.C.C.C=C[Si](C=C)(C=C)CCCC#N.C=C[Si](C=C)(C=C)CCCC=O.O
InChIInChI=1S/C10H15NSi.C10H16OSi.3CH4.H2O/c2*1-4-12(5-2,6-3)10-8-7-9-11;;;;/h4-6H,1-3,7-8,10H2;4-6,9H,1-3,7-8,10H2;3*1H4;1H2
InChIKeyBZZHSUGQEREXHE-UHFFFAOYSA-N
MW423.79 g/mol
LogP6.59
Rot. Bonds13

About methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate

methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate (PubChem CID 158540025) has the molecular formula C23H45NO2Si2 and a molecular weight of 423.79 g/mol. Its IUPAC name is methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate.

Molecular Properties

Compound Namemethane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate
PubChem CID158540025
Molecular FormulaC23H45NO2Si2
Molecular Weight423.79 g/mol
Exact Mass423.30
IUPAC Namemethane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate
SMILESC.C.C.C=C[Si](C=C)(C=C)CCCC#N.C=C[Si](C=C)(C=C)CCCC=O.O
InChIInChI=1S/C10H15NSi.C10H16OSi.3CH4.H2O/c2*1-4-12(5-2,6-3)10-8-7-9-11;;;;/h4-6H,1-3,7-8,10H2;4-6,9H,1-3,7-8,10H2;3*1H4;1H2
InChIKeyBZZHSUGQEREXHE-UHFFFAOYSA-N
XLogP6.59
TPSA72.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.79
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate 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

20-oxoicosanenitrile
CID 54108861
cyanamide;pentanedial
CID 174727970
oct-7-enenitrile
CID 10909562
tris(ethenyl)-(3-iodopropyl)silane
CID 90900457
3-[bis(ethenyl)-ethylsilyl]propanenitrile
CID 175566414
octa-5,7-dienenitrile
CID 71403851
but-1-ene;pentanedinitrile
CID 174847080
(8E,10E)-12-oxododeca-8,10-dienenitrile
CID 87790760
4-[dichloro(methyl)silyl]butanenitrile
CID 14479
tridec-12-enal
CID 57284057
henicos-20-enal
CID 14559831
prop-2-enoic acid;undec-10-enenitrile
CID 118123784

Frequently Asked Questions

What is the IUPAC name of methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate?
The IUPAC name of methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate (CID 158540025) is methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate.
What is the SMILES notation for methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate?
The canonical SMILES for methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate is C.C.C.C=C[Si](C=C)(C=C)CCCC#N.C=C[Si](C=C)(C=C)CCCC=O.O.
What is the InChIKey of methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate?
The InChIKey is BZZHSUGQEREXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NSi.C10H16OSi.3CH4.H2O/c2*1-4-12(5-2,6-3)10-8-7-9-11;;;;/h4-6H,1-3,7-8,10H2;4-6,9H,1-3,7-8,10H2;3*1H4;1H2.
What are the key properties of methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate?
methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate has a molecular weight of 423.79 g/mol, XLogP of 6.59, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-tris(ethenyl)silylbutanal;4-tris(ethenyl)silylbutanenitrile;hydrate is sourced from PubChem (CID 158540025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).