CID 119077437

C18H21NSi — CID 119077437

IUPAC—
SMILESCCCCN1Cc2ccccc2[Si]c2ccccc2C1
InChIInChI=1S/C18H21NSi/c1-2-3-12-19-13-15-8-4-6-10-17(15)20-18-11-7-5-9-16(18)14-19/h4-11H,2-3,12-14H2,1H3
InChIKeyOWRJCEADJJMBEV-UHFFFAOYSA-N
MW279.46 g/mol
LogP2.46
Rot. Bonds3

About CID 119077437

CID 119077437 (PubChem CID 119077437) has the molecular formula C18H21NSi and a molecular weight of 279.46 g/mol.

Molecular Properties

Compound NameCID 119077437
PubChem CID119077437
Molecular FormulaC18H21NSi
Molecular Weight279.46 g/mol
Exact Mass279.14
IUPAC Name—
SMILESCCCCN1Cc2ccccc2[Si]c2ccccc2C1
InChIInChI=1S/C18H21NSi/c1-2-3-12-19-13-15-8-4-6-10-17(15)20-18-11-7-5-9-16(18)14-19/h4-11H,2-3,12-14H2,1H3
InChIKeyOWRJCEADJJMBEV-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 119077437?
The IUPAC name of CID 119077437 (CID 119077437) is not available.
What is the SMILES notation for CID 119077437?
The canonical SMILES for CID 119077437 is CCCCN1Cc2ccccc2[Si]c2ccccc2C1.
What is the InChIKey of CID 119077437?
The InChIKey is OWRJCEADJJMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NSi/c1-2-3-12-19-13-15-8-4-6-10-17(15)20-18-11-7-5-9-16(18)14-19/h4-11H,2-3,12-14H2,1H3.
What are the key properties of CID 119077437?
CID 119077437 has a molecular weight of 279.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119077437 is sourced from PubChem (CID 119077437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).