2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate

C22H46O8P2-2 — CID 102130313

IUPAC2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
SMILESCCCCCCCCCCOP(=O)([O-])OCCOP(=O)([O-])OCCCCCCCCCC
InChIInChI=1S/C22H48O8P2/c1-3-5-7-9-11-13-15-17-19-27-31(23,24)29-21-22-30-32(25,26)28-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3,(H,23,24)(H,25,26)/p-2
InChIKeyCGIGJMHSZRQYQD-UHFFFAOYSA-L
MW500.55 g/mol
LogP6.27
Rot. Bonds25

About 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate

2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate (PubChem CID 102130313) has the molecular formula C22H46O8P2-2 and a molecular weight of 500.55 g/mol. Its IUPAC name is 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate.

Molecular Properties

Compound Name2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
PubChem CID102130313
Molecular FormulaC22H46O8P2-2
Molecular Weight500.55 g/mol
Exact Mass500.27
IUPAC Name2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
SMILESCCCCCCCCCCOP(=O)([O-])OCCOP(=O)([O-])OCCCCCCCCCC
InChIInChI=1S/C22H48O8P2/c1-3-5-7-9-11-13-15-17-19-27-31(23,24)29-21-22-30-32(25,26)28-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3,(H,23,24)(H,25,26)/p-2
InChIKeyCGIGJMHSZRQYQD-UHFFFAOYSA-L
XLogP6.27
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
chromium(2+);dihexyl phosphate
CID 18626712
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 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate?
The IUPAC name of 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate (CID 102130313) is 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate.
What is the SMILES notation for 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate?
The canonical SMILES for 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate is CCCCCCCCCCOP(=O)([O-])OCCOP(=O)([O-])OCCCCCCCCCC.
What is the InChIKey of 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate?
The InChIKey is CGIGJMHSZRQYQD-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H48O8P2/c1-3-5-7-9-11-13-15-17-19-27-31(23,24)29-21-22-30-32(25,26)28-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3,(H,23,24)(H,25,26)/p-2.
What are the key properties of 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate?
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate has a molecular weight of 500.55 g/mol, XLogP of 6.27, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate is sourced from PubChem (CID 102130313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).