CID 70492452

C24H40KO — CID 70492452

IUPAC—
SMILESCCCCCCCCC=CCCCCCCCCOc1ccccc1.[K]
InChIInChI=1S/C24H40O.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24;/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3;
InChIKeyUMKVMSWFBGJAFO-UHFFFAOYSA-N
MW383.68 g/mol
LogP7.72
Rot. Bonds17

About CID 70492452

CID 70492452 (PubChem CID 70492452) has the molecular formula C24H40KO and a molecular weight of 383.68 g/mol.

Molecular Properties

Compound NameCID 70492452
PubChem CID70492452
Molecular FormulaC24H40KO
Molecular Weight383.68 g/mol
Exact Mass383.27
IUPAC Name—
SMILESCCCCCCCCC=CCCCCCCCCOc1ccccc1.[K]
InChIInChI=1S/C24H40O.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24;/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3;
InChIKeyUMKVMSWFBGJAFO-UHFFFAOYSA-N
XLogP7.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.68
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 70492452?
The IUPAC name of CID 70492452 (CID 70492452) is not available.
What is the SMILES notation for CID 70492452?
The canonical SMILES for CID 70492452 is CCCCCCCCC=CCCCCCCCCOc1ccccc1.[K].
What is the InChIKey of CID 70492452?
The InChIKey is UMKVMSWFBGJAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24;/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3;.
What are the key properties of CID 70492452?
CID 70492452 has a molecular weight of 383.68 g/mol, XLogP of 7.72, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70492452 is sourced from PubChem (CID 70492452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).