[(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane

C21H39OP — CID 59565827

IUPAC[(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCCCOP
InChIInChI=1S/C21H39OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10H,2,5,8,11-21,23H2,1H3/b4-3-,7-6-,10-9-
InChIKeyIZDXEEGLLVDLBU-PDBXOOCHSA-N
MW338.52 g/mol
LogP7.55
Rot. Bonds17

About [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane

[(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane (PubChem CID 59565827) has the molecular formula C21H39OP and a molecular weight of 338.52 g/mol. Its IUPAC name is [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane.

Molecular Properties

Compound Name[(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane
PubChem CID59565827
Molecular FormulaC21H39OP
Molecular Weight338.52 g/mol
Exact Mass338.27
IUPAC Name[(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCCCOP
InChIInChI=1S/C21H39OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10H,2,5,8,11-21,23H2,1H3/b4-3-,7-6-,10-9-
InChIKeyIZDXEEGLLVDLBU-PDBXOOCHSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 57.55
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'}

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Related Compounds

(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene
CID 89100561
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
bis(docosa-7,10,13,16,19-pentaenyl) carbonate
CID 173337934
(3E,16E)-nonadeca-3,16-diene
CID 157471321
[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
CID 86752265
heptadeca-3,6,12-triene
CID 54220025
(E)-18-ethoxyoctadec-3-ene
CID 6437683
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327

Frequently Asked Questions

What is the IUPAC name of [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane?
The IUPAC name of [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane (CID 59565827) is [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane.
What is the SMILES notation for [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane?
The canonical SMILES for [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane is CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCOP.
What is the InChIKey of [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane?
The InChIKey is IZDXEEGLLVDLBU-PDBXOOCHSA-N. The full InChI is InChI=1S/C21H39OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10H,2,5,8,11-21,23H2,1H3/b4-3-,7-6-,10-9-.
What are the key properties of [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane?
[(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane has a molecular weight of 338.52 g/mol, XLogP of 7.55, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(12Z,15Z,18Z)-henicosa-12,15,18-trienoxy]phosphane is sourced from PubChem (CID 59565827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).