chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium

C18H36CrO2P+ — CID 87139944

IUPACchromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium
SMILESCCCCCCCC/C=C\CCCCCCCC[P+](=O)O.[Cr]
InChIInChI=1S/C18H35O2P.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h9-10H,2-8,11-18H2,1H3;/p+1/b10-9-;
InChIKeyVLEWSLZSIRSUHG-KVVVOXFISA-O
MW367.45 g/mol
LogP6.76
Rot. Bonds16

About chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium

chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium (PubChem CID 87139944) has the molecular formula C18H36CrO2P+ and a molecular weight of 367.45 g/mol. Its IUPAC name is chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium.

Molecular Properties

Compound Namechromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium
PubChem CID87139944
Molecular FormulaC18H36CrO2P+
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namechromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium
SMILESCCCCCCCC/C=C\CCCCCCCC[P+](=O)O.[Cr]
InChIInChI=1S/C18H35O2P.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h9-10H,2-8,11-18H2,1H3;/p+1/b10-9-;
InChIKeyVLEWSLZSIRSUHG-KVVVOXFISA-O
XLogP6.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 56.76
H-Bond Donors ≤ 51
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

dihydroxy(oxo)phosphanium;octadec-9-enylazanium
CID 57351234
chromium;hydroxy-octadec-9-enoyl-oxophosphanium
CID 173015672
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium?
The IUPAC name of chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium (CID 87139944) is chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium.
What is the SMILES notation for chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium?
The canonical SMILES for chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium is CCCCCCCC/C=C\CCCCCCCC[P+](=O)O.[Cr].
What is the InChIKey of chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium?
The InChIKey is VLEWSLZSIRSUHG-KVVVOXFISA-O. The full InChI is InChI=1S/C18H35O2P.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h9-10H,2-8,11-18H2,1H3;/p+1/b10-9-;.
What are the key properties of chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium?
chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium has a molecular weight of 367.45 g/mol, XLogP of 6.76, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium is sourced from PubChem (CID 87139944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).