CID 12023114

C19H36BSi — CID 12023114

IUPAC—
SMILESCCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1C
InChIInChI=1S/C19H36BSi/c1-7-12-14-17-16(9-3)19(20(10-4)11-5)18(21(17)6)15-13-8-2/h7-15H2,1-6H3
InChIKeyXKXRGMYROOFQLO-UHFFFAOYSA-N
MW303.39 g/mol
LogP6.66
Rot. Bonds10

About CID 12023114

CID 12023114 (PubChem CID 12023114) has the molecular formula C19H36BSi and a molecular weight of 303.39 g/mol.

Molecular Properties

Compound NameCID 12023114
PubChem CID12023114
Molecular FormulaC19H36BSi
Molecular Weight303.39 g/mol
Exact Mass303.27
IUPAC Name—
SMILESCCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1C
InChIInChI=1S/C19H36BSi/c1-7-12-14-17-16(9-3)19(20(10-4)11-5)18(21(17)6)15-13-8-2/h7-15H2,1-6H3
InChIKeyXKXRGMYROOFQLO-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.39
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 12023114 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 12023114?
The IUPAC name of CID 12023114 (CID 12023114) is not available.
What is the SMILES notation for CID 12023114?
The canonical SMILES for CID 12023114 is CCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1C.
What is the InChIKey of CID 12023114?
The InChIKey is XKXRGMYROOFQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36BSi/c1-7-12-14-17-16(9-3)19(20(10-4)11-5)18(21(17)6)15-13-8-2/h7-15H2,1-6H3.
What are the key properties of CID 12023114?
CID 12023114 has a molecular weight of 303.39 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12023114 is sourced from PubChem (CID 12023114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).