(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane

C21H24Si — CID 150758352

IUPAC(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane
SMILESCCCCC1=C([SiH](c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C21H24Si/c1-2-3-11-18-12-10-17-21(18)22(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-10,12-16,22H,2-3,11,17H2,1H3
InChIKeyJXHZCUMMSCJEKG-UHFFFAOYSA-N
MW304.51 g/mol
LogP4.01
Rot. Bonds6

About (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane

(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane (PubChem CID 150758352) has the molecular formula C21H24Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane.

Molecular Properties

Compound Name(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane
PubChem CID150758352
Molecular FormulaC21H24Si
Molecular Weight304.51 g/mol
Exact Mass304.16
IUPAC Name(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane
SMILESCCCCC1=C([SiH](c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C21H24Si/c1-2-3-11-18-12-10-17-21(18)22(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-10,12-16,22H,2-3,11,17H2,1H3
InChIKeyJXHZCUMMSCJEKG-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
CID 174284789
N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine
CID 123463246
N-[butyl(phenyl)silyl]methanamine
CID 123848380
[1-(2-ethylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140630327
N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline
CID 23286701
(2-butylcyclopenta-1,3-dien-1-yl)-tris(4-butylphenyl)silane
CID 123313636
[5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane
CID 173384771
[2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride
CID 87514554
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
1-[(2-butylcyclopenta-1,3-dien-1-yl)-bis(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 123514923
butylbenzene;propylbenzene
CID 142022125
1-butyl-2-methylcyclopenta-1,3-diene
CID 11252040

Frequently Asked Questions

What is the IUPAC name of (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The IUPAC name of (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane (CID 150758352) is (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane.
What is the SMILES notation for (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The canonical SMILES for (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane is CCCCC1=C([SiH](c2ccccc2)c2ccccc2)CC=C1.
What is the InChIKey of (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The InChIKey is JXHZCUMMSCJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Si/c1-2-3-11-18-12-10-17-21(18)22(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-10,12-16,22H,2-3,11,17H2,1H3.
What are the key properties of (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane has a molecular weight of 304.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane is sourced from PubChem (CID 150758352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).