(Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene

C38H73O3P — CID 10746277

IUPAC(Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene
SMILESC=CP(=O)(OCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C38H73O3P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-42(39,6-3)41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,19-22H,3-5,7-18,23-38H2,1-2H3/b21-19-,22-20-
InChIKeyDUJXDMVEPCVYBX-WRBBJXAJSA-N
MW608.97 g/mol
LogP14.43
Rot. Bonds35

About (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene

(Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene (PubChem CID 10746277) has the molecular formula C38H73O3P and a molecular weight of 608.97 g/mol. Its IUPAC name is (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene.

Molecular Properties

Compound Name(Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene
PubChem CID10746277
Molecular FormulaC38H73O3P
Molecular Weight608.97 g/mol
Exact Mass608.53
IUPAC Name(Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene
SMILESC=CP(=O)(OCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C38H73O3P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-42(39,6-3)41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,19-22H,3-5,7-18,23-38H2,1-2H3/b21-19-,22-20-
InChIKeyDUJXDMVEPCVYBX-WRBBJXAJSA-N
XLogP14.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.97
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene?
The IUPAC name of (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene (CID 10746277) is (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene.
What is the SMILES notation for (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene?
The canonical SMILES for (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene is C=CP(=O)(OCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene?
The InChIKey is DUJXDMVEPCVYBX-WRBBJXAJSA-N. The full InChI is InChI=1S/C38H73O3P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-42(39,6-3)41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,19-22H,3-5,7-18,23-38H2,1-2H3/b21-19-,22-20-.
What are the key properties of (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene?
(Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene has a molecular weight of 608.97 g/mol, XLogP of 14.43, 35 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene is sourced from PubChem (CID 10746277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).