bis[(Z)-octadec-9-enoxy]phosphane

C36H71O2P — CID 88561354

IUPACbis[(Z)-octadec-9-enoxy]phosphane
SMILESCCCCCCCC/C=C\CCCCCCCCOPOCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71O2P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKeyXYVCGTIWGFTHNB-CLFAGFIQSA-N
MW566.94 g/mol
LogP13.60
Rot. Bonds34

About bis[(Z)-octadec-9-enoxy]phosphane

bis[(Z)-octadec-9-enoxy]phosphane (PubChem CID 88561354) has the molecular formula C36H71O2P and a molecular weight of 566.94 g/mol. Its IUPAC name is bis[(Z)-octadec-9-enoxy]phosphane.

Molecular Properties

Compound Namebis[(Z)-octadec-9-enoxy]phosphane
PubChem CID88561354
Molecular FormulaC36H71O2P
Molecular Weight566.94 g/mol
Exact Mass566.52
IUPAC Namebis[(Z)-octadec-9-enoxy]phosphane
SMILESCCCCCCCC/C=C\CCCCCCCCOPOCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71O2P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKeyXYVCGTIWGFTHNB-CLFAGFIQSA-N
XLogP13.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.94
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

dodecoxy(propoxy)phosphane
CID 175345564
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of bis[(Z)-octadec-9-enoxy]phosphane?
The IUPAC name of bis[(Z)-octadec-9-enoxy]phosphane (CID 88561354) is bis[(Z)-octadec-9-enoxy]phosphane.
What is the SMILES notation for bis[(Z)-octadec-9-enoxy]phosphane?
The canonical SMILES for bis[(Z)-octadec-9-enoxy]phosphane is CCCCCCCC/C=C\CCCCCCCCOPOCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of bis[(Z)-octadec-9-enoxy]phosphane?
The InChIKey is XYVCGTIWGFTHNB-CLFAGFIQSA-N. The full InChI is InChI=1S/C36H71O2P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-36H2,1-2H3/b19-17-,20-18-.
What are the key properties of bis[(Z)-octadec-9-enoxy]phosphane?
bis[(Z)-octadec-9-enoxy]phosphane has a molecular weight of 566.94 g/mol, XLogP of 13.60, 34 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-octadec-9-enoxy]phosphane is sourced from PubChem (CID 88561354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).