chromium(2+);dihexyl phosphate

C12H26CrO4P+ — CID 18626712

IUPACchromium(2+);dihexyl phosphate
SMILESCCCCCCOP(=O)([O-])OCCCCCC.[Cr+2]
InChIInChI=1S/C12H27O4P.Cr/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+2/p-1
InChIKeyNXZQNUHQQLNUEI-UHFFFAOYSA-M
MW317.31 g/mol
LogP3.65
Rot. Bonds12

About chromium(2+);dihexyl phosphate

chromium(2+);dihexyl phosphate (PubChem CID 18626712) has the molecular formula C12H26CrO4P+ and a molecular weight of 317.31 g/mol. Its IUPAC name is chromium(2+);dihexyl phosphate.

Molecular Properties

Compound Namechromium(2+);dihexyl phosphate
PubChem CID18626712
Molecular FormulaC12H26CrO4P+
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Namechromium(2+);dihexyl phosphate
SMILESCCCCCCOP(=O)([O-])OCCCCCC.[Cr+2]
InChIInChI=1S/C12H27O4P.Cr/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+2/p-1
InChIKeyNXZQNUHQQLNUEI-UHFFFAOYSA-M
XLogP3.65
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diicosyl phosphate
CID 21219883
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924
beryllium bis(dihexadecyl phosphate)
CID 102241208
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
ethyl hexyl phosphate
CID 22057005

Frequently Asked Questions

What is the IUPAC name of chromium(2+);dihexyl phosphate?
The IUPAC name of chromium(2+);dihexyl phosphate (CID 18626712) is chromium(2+);dihexyl phosphate.
What is the SMILES notation for chromium(2+);dihexyl phosphate?
The canonical SMILES for chromium(2+);dihexyl phosphate is CCCCCCOP(=O)([O-])OCCCCCC.[Cr+2].
What is the InChIKey of chromium(2+);dihexyl phosphate?
The InChIKey is NXZQNUHQQLNUEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27O4P.Cr/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+2/p-1.
What are the key properties of chromium(2+);dihexyl phosphate?
chromium(2+);dihexyl phosphate has a molecular weight of 317.31 g/mol, XLogP of 3.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);dihexyl phosphate is sourced from PubChem (CID 18626712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).