dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane

C18H35K2O3P — CID 6454180

IUPACdipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C18H37O3P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;;/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2/b10-9-;;
InChIKeyYVQWFJHQBZYRNN-XXAVUKJNSA-L
MW408.65 g/mol
LogP-1.05
Rot. Bonds16

About dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane

dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane (PubChem CID 6454180) has the molecular formula C18H35K2O3P and a molecular weight of 408.65 g/mol. Its IUPAC name is dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namedipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
PubChem CID6454180
Molecular FormulaC18H35K2O3P
Molecular Weight408.65 g/mol
Exact Mass408.16
IUPAC Namedipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C18H37O3P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;;/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2/b10-9-;;
InChIKeyYVQWFJHQBZYRNN-XXAVUKJNSA-L
XLogP-1.05
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.65
LogP ≤ 5-1.05
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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Related Compounds

tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)
CID 140747194
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
(Z)-docos-9-ene
CID 11690102
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(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

Frequently Asked Questions

What is the IUPAC name of dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane?
The IUPAC name of dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane (CID 6454180) is dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane?
The canonical SMILES for dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane is CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane?
The InChIKey is YVQWFJHQBZYRNN-XXAVUKJNSA-L. The full InChI is InChI=1S/C18H37O3P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;;/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2/b10-9-;;.
What are the key properties of dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane?
dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane has a molecular weight of 408.65 g/mol, XLogP of -1.05, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 6454180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).