chromium;hydroxy-octadec-9-enoyl-oxophosphanium

C18H34CrO3P+ — CID 173015672

IUPACchromium;hydroxy-octadec-9-enoyl-oxophosphanium
SMILESCCCCCCCCC=CCCCCCCCC(=O)[P+](=O)O.[Cr]
InChIInChI=1S/C18H33O3P.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)22(20)21;/h9-10H,2-8,11-17H2,1H3;/p+1
InChIKeyGVSHDYKSPRIURB-UHFFFAOYSA-O
MW381.44 g/mol
LogP6.28
Rot. Bonds16

About chromium;hydroxy-octadec-9-enoyl-oxophosphanium

chromium;hydroxy-octadec-9-enoyl-oxophosphanium (PubChem CID 173015672) has the molecular formula C18H34CrO3P+ and a molecular weight of 381.44 g/mol. Its IUPAC name is chromium;hydroxy-octadec-9-enoyl-oxophosphanium.

Molecular Properties

Compound Namechromium;hydroxy-octadec-9-enoyl-oxophosphanium
PubChem CID173015672
Molecular FormulaC18H34CrO3P+
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Namechromium;hydroxy-octadec-9-enoyl-oxophosphanium
SMILESCCCCCCCCC=CCCCCCCCC(=O)[P+](=O)O.[Cr]
InChIInChI=1S/C18H33O3P.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)22(20)21;/h9-10H,2-8,11-17H2,1H3;/p+1
InChIKeyGVSHDYKSPRIURB-UHFFFAOYSA-O
XLogP6.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 56.28
H-Bond Donors ≤ 51
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

hydroxy-oxo-pentanoylphosphanium
CID 175157620
chromium;(Z)-octadec-9-enoic acid
CID 87072863
(E)-triacont-15-ene-8,23-dione
CID 11849500
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium
CID 87139944
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-hexadec-8-enoic acid
CID 6430788
(E)-dotriacont-23-en-2-one
CID 5365248
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673

Frequently Asked Questions

What is the IUPAC name of chromium;hydroxy-octadec-9-enoyl-oxophosphanium?
The IUPAC name of chromium;hydroxy-octadec-9-enoyl-oxophosphanium (CID 173015672) is chromium;hydroxy-octadec-9-enoyl-oxophosphanium.
What is the SMILES notation for chromium;hydroxy-octadec-9-enoyl-oxophosphanium?
The canonical SMILES for chromium;hydroxy-octadec-9-enoyl-oxophosphanium is CCCCCCCCC=CCCCCCCCC(=O)[P+](=O)O.[Cr].
What is the InChIKey of chromium;hydroxy-octadec-9-enoyl-oxophosphanium?
The InChIKey is GVSHDYKSPRIURB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H33O3P.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)22(20)21;/h9-10H,2-8,11-17H2,1H3;/p+1.
What are the key properties of chromium;hydroxy-octadec-9-enoyl-oxophosphanium?
chromium;hydroxy-octadec-9-enoyl-oxophosphanium has a molecular weight of 381.44 g/mol, XLogP of 6.28, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;hydroxy-octadec-9-enoyl-oxophosphanium is sourced from PubChem (CID 173015672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).