CID 173133116

C20H33Se — CID 173133116

IUPAC—
SMILESCCCCCCCCCCCCCCc1ccccc1[Se]
InChIInChI=1S/C20H33Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21/h14-15,17-18H,2-13,16H2,1H3
InChIKeyAFXCPXOHKLTDSD-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.72
Rot. Bonds13

About CID 173133116

CID 173133116 (PubChem CID 173133116) has the molecular formula C20H33Se and a molecular weight of 352.44 g/mol.

Molecular Properties

Compound NameCID 173133116
PubChem CID173133116
Molecular FormulaC20H33Se
Molecular Weight352.44 g/mol
Exact Mass353.17
IUPAC Name—
SMILESCCCCCCCCCCCCCCc1ccccc1[Se]
InChIInChI=1S/C20H33Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21/h14-15,17-18H,2-13,16H2,1H3
InChIKeyAFXCPXOHKLTDSD-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 173133116?
The IUPAC name of CID 173133116 (CID 173133116) is not available.
What is the SMILES notation for CID 173133116?
The canonical SMILES for CID 173133116 is CCCCCCCCCCCCCCc1ccccc1[Se].
What is the InChIKey of CID 173133116?
The InChIKey is AFXCPXOHKLTDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21/h14-15,17-18H,2-13,16H2,1H3.
What are the key properties of CID 173133116?
CID 173133116 has a molecular weight of 352.44 g/mol, XLogP of 5.72, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173133116 is sourced from PubChem (CID 173133116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).