(2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane

C13H16Si — CID 174668523

IUPAC(2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane
SMILESCC1=CC([SiH2]c2ccccc2)C(C)=C1
InChIInChI=1S/C13H16Si/c1-10-8-11(2)13(9-10)14-12-6-4-3-5-7-12/h3-9,13H,14H2,1-2H3
InChIKeyNGLCLCMAFMFJSB-UHFFFAOYSA-N
MW200.36 g/mol
LogP2.18
Rot. Bonds2

About (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane

(2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane (PubChem CID 174668523) has the molecular formula C13H16Si and a molecular weight of 200.36 g/mol. Its IUPAC name is (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane.

Molecular Properties

Compound Name(2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane
PubChem CID174668523
Molecular FormulaC13H16Si
Molecular Weight200.36 g/mol
Exact Mass200.10
IUPAC Name(2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane
SMILESCC1=CC([SiH2]c2ccccc2)C(C)=C1
InChIInChI=1S/C13H16Si/c1-10-8-11(2)13(9-10)14-12-6-4-3-5-7-12/h3-9,13H,14H2,1-2H3
InChIKeyNGLCLCMAFMFJSB-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane?
The IUPAC name of (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane (CID 174668523) is (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane.
What is the SMILES notation for (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane?
The canonical SMILES for (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane is CC1=CC([SiH2]c2ccccc2)C(C)=C1.
What is the InChIKey of (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane?
The InChIKey is NGLCLCMAFMFJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Si/c1-10-8-11(2)13(9-10)14-12-6-4-3-5-7-12/h3-9,13H,14H2,1-2H3.
What are the key properties of (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane?
(2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane has a molecular weight of 200.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclopenta-2,4-dien-1-yl)-phenylsilane is sourced from PubChem (CID 174668523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).