(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene

C24H39AsO — CID 102425049

IUPAC(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene
SMILESCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[As](C)(C)=O
InChIInChI=1S/C24H39AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)26/h6-7,9-10,12-13,15-16,18-19,21-22H,4-5,8,11,14,17,20,23-24H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKeyHMJBSBOBGPIMOY-WSDBEMKQSA-N
MW418.50 g/mol
LogP8.10
Rot. Bonds15

About (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene

(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene (PubChem CID 102425049) has the molecular formula C24H39AsO and a molecular weight of 418.50 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene
PubChem CID102425049
Molecular FormulaC24H39AsO
Molecular Weight418.50 g/mol
Exact Mass418.22
IUPAC Name(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene
SMILESCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[As](C)(C)=O
InChIInChI=1S/C24H39AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)26/h6-7,9-10,12-13,15-16,18-19,21-22H,4-5,8,11,14,17,20,23-24H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKeyHMJBSBOBGPIMOY-WSDBEMKQSA-N
XLogP8.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene?
The IUPAC name of (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene (CID 102425049) is (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene.
What is the SMILES notation for (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene?
The canonical SMILES for (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene is CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[As](C)(C)=O.
What is the InChIKey of (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene?
The InChIKey is HMJBSBOBGPIMOY-WSDBEMKQSA-N. The full InChI is InChI=1S/C24H39AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)26/h6-7,9-10,12-13,15-16,18-19,21-22H,4-5,8,11,14,17,20,23-24H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-.
What are the key properties of (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene?
(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene has a molecular weight of 418.50 g/mol, XLogP of 8.10, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene is sourced from PubChem (CID 102425049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).