CID 21152560

C20H26ClNOSi — CID 21152560

IUPAC—
SMILESCl.c1ccc(C([Si]CCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H25NOSi.ClH/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-7-12-21-13-15-22-16-14-21;/h1-6,8-11,20H,7,12-17H2;1H
InChIKeyDCXVBPRMTBAZTM-UHFFFAOYSA-N
MW359.97 g/mol
LogP4.04
Rot. Bonds7

About CID 21152560

CID 21152560 (PubChem CID 21152560) has the molecular formula C20H26ClNOSi and a molecular weight of 359.97 g/mol.

Molecular Properties

Compound NameCID 21152560
PubChem CID21152560
Molecular FormulaC20H26ClNOSi
Molecular Weight359.97 g/mol
Exact Mass359.15
IUPAC Name—
SMILESCl.c1ccc(C([Si]CCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H25NOSi.ClH/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-7-12-21-13-15-22-16-14-21;/h1-6,8-11,20H,7,12-17H2;1H
InChIKeyDCXVBPRMTBAZTM-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.97
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 21152560?
The IUPAC name of CID 21152560 (CID 21152560) is not available.
What is the SMILES notation for CID 21152560?
The canonical SMILES for CID 21152560 is Cl.c1ccc(C([Si]CCCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of CID 21152560?
The InChIKey is DCXVBPRMTBAZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOSi.ClH/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-7-12-21-13-15-22-16-14-21;/h1-6,8-11,20H,7,12-17H2;1H.
What are the key properties of CID 21152560?
CID 21152560 has a molecular weight of 359.97 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21152560 is sourced from PubChem (CID 21152560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).