beryllium bis(dihexadecyl phosphate)

C64H132BeO8P2 — CID 102241208

IUPACberyllium bis(dihexadecyl phosphate)
SMILESCCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.[Be+2]
InChIInChI=1S/2C32H67O4P.Be/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*3-32H2,1-2H3,(H,33,34);/q;;+2/p-2
InChIKeyYPXCVENEFJYXPX-UHFFFAOYSA-L
MW1100.71 g/mol
LogP22.52
Rot. Bonds64

About beryllium bis(dihexadecyl phosphate)

beryllium bis(dihexadecyl phosphate) (PubChem CID 102241208) has the molecular formula C64H132BeO8P2 and a molecular weight of 1100.71 g/mol. Its IUPAC name is beryllium bis(dihexadecyl phosphate).

Molecular Properties

Compound Nameberyllium bis(dihexadecyl phosphate)
PubChem CID102241208
Molecular FormulaC64H132BeO8P2
Molecular Weight1100.71 g/mol
Exact Mass1099.95
IUPAC Nameberyllium bis(dihexadecyl phosphate)
SMILESCCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.[Be+2]
InChIInChI=1S/2C32H67O4P.Be/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*3-32H2,1-2H3,(H,33,34);/q;;+2/p-2
InChIKeyYPXCVENEFJYXPX-UHFFFAOYSA-L
XLogP22.52
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds64
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.71
LogP ≤ 522.52
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
chromium(2+);dihexyl phosphate
CID 18626712
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 beryllium bis(dihexadecyl phosphate)?
The IUPAC name of beryllium bis(dihexadecyl phosphate) (CID 102241208) is beryllium bis(dihexadecyl phosphate).
What is the SMILES notation for beryllium bis(dihexadecyl phosphate)?
The canonical SMILES for beryllium bis(dihexadecyl phosphate) is CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.[Be+2].
What is the InChIKey of beryllium bis(dihexadecyl phosphate)?
The InChIKey is YPXCVENEFJYXPX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C32H67O4P.Be/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*3-32H2,1-2H3,(H,33,34);/q;;+2/p-2.
What are the key properties of beryllium bis(dihexadecyl phosphate)?
beryllium bis(dihexadecyl phosphate) has a molecular weight of 1100.71 g/mol, XLogP of 22.52, 64 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium bis(dihexadecyl phosphate) is sourced from PubChem (CID 102241208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).