CID 6389184

C20H30ClSi — CID 6389184

IUPAC—
SMILESCC1=C(C)C(C)([Si](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C20H30ClSi/c1-11-12(2)16(6)19(9,15(11)5)22(21)20(10)17(7)13(3)14(4)18(20)8/h1-10H3
InChIKeyQGLBXEQHGHAZHE-UHFFFAOYSA-N
MW334.00 g/mol
LogP7.11
Rot. Bonds2

About CID 6389184

CID 6389184 (PubChem CID 6389184) has the molecular formula C20H30ClSi and a molecular weight of 334.00 g/mol.

Molecular Properties

Compound NameCID 6389184
PubChem CID6389184
Molecular FormulaC20H30ClSi
Molecular Weight334.00 g/mol
Exact Mass333.18
IUPAC Name—
SMILESCC1=C(C)C(C)([Si](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C20H30ClSi/c1-11-12(2)16(6)19(9,15(11)5)22(21)20(10)17(7)13(3)14(4)18(20)8/h1-10H3
InChIKeyQGLBXEQHGHAZHE-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.00
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 6389184 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 CID 6389184?
The IUPAC name of CID 6389184 (CID 6389184) is not available.
What is the SMILES notation for CID 6389184?
The canonical SMILES for CID 6389184 is CC1=C(C)C(C)([Si](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of CID 6389184?
The InChIKey is QGLBXEQHGHAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClSi/c1-11-12(2)16(6)19(9,15(11)5)22(21)20(10)17(7)13(3)14(4)18(20)8/h1-10H3.
What are the key properties of CID 6389184?
CID 6389184 has a molecular weight of 334.00 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6389184 is sourced from PubChem (CID 6389184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).