CID 19039151

C21H32NSi — CID 19039151

IUPAC—
SMILESCCCCCCCCC[Si]1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C21H32NSi/c1-2-3-4-5-6-7-8-15-23-16-13-21(14-17-23)20-11-9-19(18-22)10-12-20/h9-12,21H,2-8,13-17H2,1H3
InChIKeyDRTNOAVGFYROQA-UHFFFAOYSA-N
MW326.58 g/mol
LogP6.68
Rot. Bonds9

About CID 19039151

CID 19039151 (PubChem CID 19039151) has the molecular formula C21H32NSi and a molecular weight of 326.58 g/mol.

Molecular Properties

Compound NameCID 19039151
PubChem CID19039151
Molecular FormulaC21H32NSi
Molecular Weight326.58 g/mol
Exact Mass326.23
IUPAC Name—
SMILESCCCCCCCCC[Si]1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C21H32NSi/c1-2-3-4-5-6-7-8-15-23-16-13-21(14-17-23)20-11-9-19(18-22)10-12-20/h9-12,21H,2-8,13-17H2,1H3
InChIKeyDRTNOAVGFYROQA-UHFFFAOYSA-N
XLogP6.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.58
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 19039151 with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 19099062
CID 19593763
CID 19593763
CID 21470316
CID 21470316
4-[4-(4-decoxycyclohexyl)phenyl]benzonitrile
CID 21318459
CID 22924523
CID 22924523
CID 22373424
CID 22373424
4-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 67707796
4-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzonitrile
CID 139837189
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
[4-(4-cyanophenyl)cyclohexyl] octyl carbonate
CID 22755289
4-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)benzonitrile
CID 139865141
4-(4-oxocyclohexyl)benzonitrile;4-(4-pentylphenyl)cyclohexan-1-one
CID 70502253

Frequently Asked Questions

What is the IUPAC name of CID 19039151?
The IUPAC name of CID 19039151 (CID 19039151) is not available.
What is the SMILES notation for CID 19039151?
The canonical SMILES for CID 19039151 is CCCCCCCCC[Si]1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of CID 19039151?
The InChIKey is DRTNOAVGFYROQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32NSi/c1-2-3-4-5-6-7-8-15-23-16-13-21(14-17-23)20-11-9-19(18-22)10-12-20/h9-12,21H,2-8,13-17H2,1H3.
What are the key properties of CID 19039151?
CID 19039151 has a molecular weight of 326.58 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19039151 is sourced from PubChem (CID 19039151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).