butan-2-yl octyl phosphate;zinc

C12H26O4PZn- — CID 160789065

IUPACbutan-2-yl octyl phosphate;zinc
SMILESCCCCCCCCOP(=O)([O-])OC(C)CC.[Zn]
InChIInChI=1S/C12H27O4P.Zn/c1-4-6-7-8-9-10-11-15-17(13,14)16-12(3)5-2;/h12H,4-11H2,1-3H3,(H,13,14);/p-1
InChIKeyRZBHJYOWIDBJBI-UHFFFAOYSA-M
MW330.70 g/mol
LogP3.64
Rot. Bonds11

About butan-2-yl octyl phosphate;zinc

butan-2-yl octyl phosphate;zinc (PubChem CID 160789065) has the molecular formula C12H26O4PZn- and a molecular weight of 330.70 g/mol. Its IUPAC name is butan-2-yl octyl phosphate;zinc.

Molecular Properties

Compound Namebutan-2-yl octyl phosphate;zinc
PubChem CID160789065
Molecular FormulaC12H26O4PZn-
Molecular Weight330.70 g/mol
Exact Mass329.09
IUPAC Namebutan-2-yl octyl phosphate;zinc
SMILESCCCCCCCCOP(=O)([O-])OC(C)CC.[Zn]
InChIInChI=1S/C12H27O4P.Zn/c1-4-6-7-8-9-10-11-15-17(13,14)16-12(3)5-2;/h12H,4-11H2,1-3H3,(H,13,14);/p-1
InChIKeyRZBHJYOWIDBJBI-UHFFFAOYSA-M
XLogP3.64
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
chromium(2+);dihexyl phosphate
CID 18626712
azanium didecyl phosphate
CID 157179907
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
dibutyl phosphate;tetramethylphosphanium
CID 87474476
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

Frequently Asked Questions

What is the IUPAC name of butan-2-yl octyl phosphate;zinc?
The IUPAC name of butan-2-yl octyl phosphate;zinc (CID 160789065) is butan-2-yl octyl phosphate;zinc.
What is the SMILES notation for butan-2-yl octyl phosphate;zinc?
The canonical SMILES for butan-2-yl octyl phosphate;zinc is CCCCCCCCOP(=O)([O-])OC(C)CC.[Zn].
What is the InChIKey of butan-2-yl octyl phosphate;zinc?
The InChIKey is RZBHJYOWIDBJBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27O4P.Zn/c1-4-6-7-8-9-10-11-15-17(13,14)16-12(3)5-2;/h12H,4-11H2,1-3H3,(H,13,14);/p-1.
What are the key properties of butan-2-yl octyl phosphate;zinc?
butan-2-yl octyl phosphate;zinc has a molecular weight of 330.70 g/mol, XLogP of 3.64, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl octyl phosphate;zinc is sourced from PubChem (CID 160789065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).