[(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane

C23H39OP — CID 121296204

IUPAC[(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane
SMILESCC/C=C\CC(C)C(/C=C/C=C/C=C\C/C=C\CCCCCC)OP
InChIInChI=1S/C23H39OP/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-21-23(24-25)22(3)20-18-7-5-2/h7,11-12,14-19,21-23H,4-6,8-10,13,20,25H2,1-3H3/b12-11-,15-14-,17-16+,18-7-,21-19+
InChIKeyFYBIIFYXJRLXAB-AUNHNJPGSA-N
MW362.54 g/mol
LogP7.74
Rot. Bonds15

About [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane

[(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane (PubChem CID 121296204) has the molecular formula C23H39OP and a molecular weight of 362.54 g/mol. Its IUPAC name is [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane.

Molecular Properties

Compound Name[(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane
PubChem CID121296204
Molecular FormulaC23H39OP
Molecular Weight362.54 g/mol
Exact Mass362.27
IUPAC Name[(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane
SMILESCC/C=C\CC(C)C(/C=C/C=C/C=C\C/C=C\CCCCCC)OP
InChIInChI=1S/C23H39OP/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-21-23(24-25)22(3)20-18-7-5-2/h7,11-12,14-19,21-23H,4-6,8-10,13,20,25H2,1-3H3/b12-11-,15-14-,17-16+,18-7-,21-19+
InChIKeyFYBIIFYXJRLXAB-AUNHNJPGSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.54
LogP ≤ 57.74
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane with MolForge

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Related Compounds

(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
CID 89023941
(4E,7E)-2-methylheptadeca-4,7-diene
CID 177270095
hexadeca-3,6,9-triene
CID 56627141
henicosa-3,6-diene
CID 72727393
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane
CID 146899423
12-hydroperoxyicosa-5,8,10,14-tetraene
CID 88652466
(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane
CID 162284336
phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane
CID 134464383
pentacosa-3,9,11,15-tetraene
CID 141068852
trideca-3,5,8-triene
CID 154411213

Frequently Asked Questions

What is the IUPAC name of [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane?
The IUPAC name of [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane (CID 121296204) is [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane.
What is the SMILES notation for [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane?
The canonical SMILES for [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane is CC/C=C\CC(C)C(/C=C/C=C/C=C\C/C=C\CCCCCC)OP.
What is the InChIKey of [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane?
The InChIKey is FYBIIFYXJRLXAB-AUNHNJPGSA-N. The full InChI is InChI=1S/C23H39OP/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-21-23(24-25)22(3)20-18-7-5-2/h7,11-12,14-19,21-23H,4-6,8-10,13,20,25H2,1-3H3/b12-11-,15-14-,17-16+,18-7-,21-19+.
What are the key properties of [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane?
[(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane has a molecular weight of 362.54 g/mol, XLogP of 7.74, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane is sourced from PubChem (CID 121296204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).