(3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane

C17H22SSi — CID 173184588

IUPAC(3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane
SMILESCC(C)C1C(C2=CC=CC2)=C2C=CC=C2S1=[Si](C)C
InChIInChI=1S/C17H22SSi/c1-12(2)17-16(13-8-5-6-9-13)14-10-7-11-15(14)18(17)19(3)4/h5-8,10-12,17H,9H2,1-4H3
InChIKeyHKWHSLHLOYCQEG-UHFFFAOYSA-N
MW286.52 g/mol
LogP5.18
Rot. Bonds2

About (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane

(3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane (PubChem CID 173184588) has the molecular formula C17H22SSi and a molecular weight of 286.52 g/mol. Its IUPAC name is (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane.

Molecular Properties

Compound Name(3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane
PubChem CID173184588
Molecular FormulaC17H22SSi
Molecular Weight286.52 g/mol
Exact Mass286.12
IUPAC Name(3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane
SMILESCC(C)C1C(C2=CC=CC2)=C2C=CC=C2S1=[Si](C)C
InChIInChI=1S/C17H22SSi/c1-12(2)17-16(13-8-5-6-9-13)14-10-7-11-15(14)18(17)19(3)4/h5-8,10-12,17H,9H2,1-4H3
InChIKeyHKWHSLHLOYCQEG-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 55.18
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

(3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride
CID 173184629
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
3-propan-2-yl-1,2,3,5-tetrahydronaphthalene
CID 101316545
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
2-cyclopenta-1,3-dien-1-yl-5-methylcyclopenta-1,3-diene
CID 19888185
(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine
CID 146278154
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594
cobalt;1-cyclopenta-1,3-dien-1-yl-5-methylcyclopenta-1,3-diene
CID 174568415
6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine
CID 158994739
1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene
CID 173425674

Frequently Asked Questions

What is the IUPAC name of (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane?
The IUPAC name of (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane (CID 173184588) is (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane.
What is the SMILES notation for (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane?
The canonical SMILES for (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane is CC(C)C1C(C2=CC=CC2)=C2C=CC=C2S1=[Si](C)C.
What is the InChIKey of (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane?
The InChIKey is HKWHSLHLOYCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22SSi/c1-12(2)17-16(13-8-5-6-9-13)14-10-7-11-15(14)18(17)19(3)4/h5-8,10-12,17H,9H2,1-4H3.
What are the key properties of (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane?
(3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane has a molecular weight of 286.52 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane is sourced from PubChem (CID 173184588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).