(3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane

C19H22Si — CID 87603578

IUPAC(3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane
SMILESCC1=CC2=CC=CC(=[Si](C)C)C(C)C2=C1C1=CC=CC1
InChIInChI=1S/C19H22Si/c1-13-12-16-10-7-11-17(20(3)4)14(2)19(16)18(13)15-8-5-6-9-15/h5-8,10-12,14H,9H2,1-4H3
InChIKeyFLFNRFBKGABTFX-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.77
Rot. Bonds1

About (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane

(3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane (PubChem CID 87603578) has the molecular formula C19H22Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane.

Molecular Properties

Compound Name(3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane
PubChem CID87603578
Molecular FormulaC19H22Si
Molecular Weight278.47 g/mol
Exact Mass278.15
IUPAC Name(3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane
SMILESCC1=CC2=CC=CC(=[Si](C)C)C(C)C2=C1C1=CC=CC1
InChIInChI=1S/C19H22Si/c1-13-12-16-10-7-11-17(20(3)4)14(2)19(16)18(13)15-8-5-6-9-15/h5-8,10-12,14H,9H2,1-4H3
InChIKeyFLFNRFBKGABTFX-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane?
The IUPAC name of (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane (CID 87603578) is (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane.
What is the SMILES notation for (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane?
The canonical SMILES for (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane is CC1=CC2=CC=CC(=[Si](C)C)C(C)C2=C1C1=CC=CC1.
What is the InChIKey of (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane?
The InChIKey is FLFNRFBKGABTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Si/c1-13-12-16-10-7-11-17(20(3)4)14(2)19(16)18(13)15-8-5-6-9-15/h5-8,10-12,14H,9H2,1-4H3.
What are the key properties of (3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane?
(3-cyclopenta-1,3-dien-1-yl-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane has a molecular weight of 278.47 g/mol, XLogP of 4.77, 1 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-2,4-dimethyl-4H-azulen-5-ylidene)-dimethylsilane is sourced from PubChem (CID 87603578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).