CID 12013874

C16H25Si — CID 12013874

IUPAC—
SMILESC[Si](CC1CCCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C16H25Si/c1-16(2)11-7-8-14(12-16)13-17(3)15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3
InChIKeyNHQFJHMUEMUCOV-UHFFFAOYSA-N
MW245.46 g/mol
LogP4.23
Rot. Bonds3

About CID 12013874

CID 12013874 (PubChem CID 12013874) has the molecular formula C16H25Si and a molecular weight of 245.46 g/mol.

Molecular Properties

Compound NameCID 12013874
PubChem CID12013874
Molecular FormulaC16H25Si
Molecular Weight245.46 g/mol
Exact Mass245.17
IUPAC Name—
SMILESC[Si](CC1CCCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C16H25Si/c1-16(2)11-7-8-14(12-16)13-17(3)15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3
InChIKeyNHQFJHMUEMUCOV-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 12013874 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 12013874?
The IUPAC name of CID 12013874 (CID 12013874) is not available.
What is the SMILES notation for CID 12013874?
The canonical SMILES for CID 12013874 is C[Si](CC1CCCC(C)(C)C1)c1ccccc1.
What is the InChIKey of CID 12013874?
The InChIKey is NHQFJHMUEMUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Si/c1-16(2)11-7-8-14(12-16)13-17(3)15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3.
What are the key properties of CID 12013874?
CID 12013874 has a molecular weight of 245.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12013874 is sourced from PubChem (CID 12013874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).