bis(bis(2-ethylhexyl)phosphinate);chromium(2+)

C32H68CrO4P2 — CID 18626793

IUPACbis(bis(2-ethylhexyl)phosphinate);chromium(2+)
SMILESCCCCC(CC)CP(=O)([O-])CC(CC)CCCC.CCCCC(CC)CP(=O)([O-])CC(CC)CCCC.[Cr+2]
InChIInChI=1S/2C16H35O2P.Cr/c2*1-5-9-11-15(7-3)13-19(17,18)14-16(8-4)12-10-6-2;/h2*15-16H,5-14H2,1-4H3,(H,17,18);/q;;+2/p-2
InChIKeyYRTHBAYIAVHXHC-UHFFFAOYSA-L
MW630.84 g/mol
LogP10.11
Rot. Bonds24

About bis(bis(2-ethylhexyl)phosphinate);chromium(2+)

bis(bis(2-ethylhexyl)phosphinate);chromium(2+) (PubChem CID 18626793) has the molecular formula C32H68CrO4P2 and a molecular weight of 630.84 g/mol. Its IUPAC name is bis(bis(2-ethylhexyl)phosphinate);chromium(2+).

Molecular Properties

Compound Namebis(bis(2-ethylhexyl)phosphinate);chromium(2+)
PubChem CID18626793
Molecular FormulaC32H68CrO4P2
Molecular Weight630.84 g/mol
Exact Mass630.40
IUPAC Namebis(bis(2-ethylhexyl)phosphinate);chromium(2+)
SMILESCCCCC(CC)CP(=O)([O-])CC(CC)CCCC.CCCCC(CC)CP(=O)([O-])CC(CC)CCCC.[Cr+2]
InChIInChI=1S/2C16H35O2P.Cr/c2*1-5-9-11-15(7-3)13-19(17,18)14-16(8-4)12-10-6-2;/h2*15-16H,5-14H2,1-4H3,(H,17,18);/q;;+2/p-2
InChIKeyYRTHBAYIAVHXHC-UHFFFAOYSA-L
XLogP10.11
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum
CID 18365586
3-(diethoxyphosphorylmethyl)heptane
CID 13197361
tris(cyclohexyl(2-ethylhexyl)phosphinate);iron(3+)
CID 19865296
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
3-butylheptyl-dioxido-oxo-λ5-phosphane
CID 53443012
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
2-ethylhexylphosphonic acid;hexadecylphosphonic acid
CID 88748715
decylphosphonic acid;2-ethylhexylphosphonic acid
CID 175591377
trizinc;tris(3-methanidylheptane);phosphate
CID 158042505
lanthanum(3+);bis(3-methanidylheptane);phosphate
CID 175484799

Frequently Asked Questions

What is the IUPAC name of bis(bis(2-ethylhexyl)phosphinate);chromium(2+)?
The IUPAC name of bis(bis(2-ethylhexyl)phosphinate);chromium(2+) (CID 18626793) is bis(bis(2-ethylhexyl)phosphinate);chromium(2+).
What is the SMILES notation for bis(bis(2-ethylhexyl)phosphinate);chromium(2+)?
The canonical SMILES for bis(bis(2-ethylhexyl)phosphinate);chromium(2+) is CCCCC(CC)CP(=O)([O-])CC(CC)CCCC.CCCCC(CC)CP(=O)([O-])CC(CC)CCCC.[Cr+2].
What is the InChIKey of bis(bis(2-ethylhexyl)phosphinate);chromium(2+)?
The InChIKey is YRTHBAYIAVHXHC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H35O2P.Cr/c2*1-5-9-11-15(7-3)13-19(17,18)14-16(8-4)12-10-6-2;/h2*15-16H,5-14H2,1-4H3,(H,17,18);/q;;+2/p-2.
What are the key properties of bis(bis(2-ethylhexyl)phosphinate);chromium(2+)?
bis(bis(2-ethylhexyl)phosphinate);chromium(2+) has a molecular weight of 630.84 g/mol, XLogP of 10.11, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(2-ethylhexyl)phosphinate);chromium(2+) is sourced from PubChem (CID 18626793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).