(4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)

C30H46O2Si2 — CID 161464073

IUPAC(4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)
SMILESC.C.C=C=C=O.C=C=C=O.C=Cc1ccc([SiH](C)C)cc1.CCC(C)c1ccc([SiH](C)C)cc1
InChIInChI=1S/C12H20Si.C10H14Si.2C3H2O.2CH4/c1-5-10(2)11-6-8-12(9-7-11)13(3)4;1-4-9-5-7-10(8-6-9)11(2)3;2*1-2-3-4;;/h6-10,13H,5H2,1-4H3;4-8,11H,1H2,2-3H3;2*1H2;2*1H4
InChIKeyWCESJSYLAQNPDP-UHFFFAOYSA-N
MW494.87 g/mol
LogP6.51
Rot. Bonds5

About (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)

(4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one) (PubChem CID 161464073) has the molecular formula C30H46O2Si2 and a molecular weight of 494.87 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one).

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)
PubChem CID161464073
Molecular FormulaC30H46O2Si2
Molecular Weight494.87 g/mol
Exact Mass494.30
IUPAC Name(4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)
SMILESC.C.C=C=C=O.C=C=C=O.C=Cc1ccc([SiH](C)C)cc1.CCC(C)c1ccc([SiH](C)C)cc1
InChIInChI=1S/C12H20Si.C10H14Si.2C3H2O.2CH4/c1-5-10(2)11-6-8-12(9-7-11)13(3)4;1-4-9-5-7-10(8-6-9)11(2)3;2*1-2-3-4;;/h6-10,13H,5H2,1-4H3;4-8,11H,1H2,2-3H3;2*1H2;2*1H4
InChIKeyWCESJSYLAQNPDP-UHFFFAOYSA-N
XLogP6.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.87
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)?
The IUPAC name of (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one) (CID 161464073) is (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one).
What is the SMILES notation for (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)?
The canonical SMILES for (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one) is C.C.C=C=C=O.C=C=C=O.C=Cc1ccc([SiH](C)C)cc1.CCC(C)c1ccc([SiH](C)C)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)?
The InChIKey is WCESJSYLAQNPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Si.C10H14Si.2C3H2O.2CH4/c1-5-10(2)11-6-8-12(9-7-11)13(3)4;1-4-9-5-7-10(8-6-9)11(2)3;2*1-2-3-4;;/h6-10,13H,5H2,1-4H3;4-8,11H,1H2,2-3H3;2*1H2;2*1H4.
What are the key properties of (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one)?
(4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one) has a molecular weight of 494.87 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-dimethylsilane;(4-ethenylphenyl)-dimethylsilane;methane;bis(propa-1,2-dien-1-one) is sourced from PubChem (CID 161464073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).