bis(undec-10-enyl) hydrogen phosphate

C22H43O4P — CID 21344252

IUPACbis(undec-10-enyl) hydrogen phosphate
SMILESC=CCCCCCCCCCOP(=O)(O)OCCCCCCCCCC=C
InChIInChI=1S/C22H43O4P/c1-3-5-7-9-11-13-15-17-19-21-25-27(23,24)26-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2,(H,23,24)
InChIKeyFAWAZWCVXRFXMS-UHFFFAOYSA-N
MW402.56 g/mol
LogP7.73
Rot. Bonds22

About bis(undec-10-enyl) hydrogen phosphate

bis(undec-10-enyl) hydrogen phosphate (PubChem CID 21344252) has the molecular formula C22H43O4P and a molecular weight of 402.56 g/mol. Its IUPAC name is bis(undec-10-enyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(undec-10-enyl) hydrogen phosphate
PubChem CID21344252
Molecular FormulaC22H43O4P
Molecular Weight402.56 g/mol
Exact Mass402.29
IUPAC Namebis(undec-10-enyl) hydrogen phosphate
SMILESC=CCCCCCCCCCOP(=O)(O)OCCCCCCCCCC=C
InChIInChI=1S/C22H43O4P/c1-3-5-7-9-11-13-15-17-19-21-25-27(23,24)26-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2,(H,23,24)
InChIKeyFAWAZWCVXRFXMS-UHFFFAOYSA-N
XLogP7.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dioleyl Phosphate
CID 6436414
Trioleyl Phosphate
CID 6436723
Phosphoric acid mono-((E)-tetradec-9-enyl) ester
CID 11197104
Phosphoric acid mono-((E)-dodec-9-enyl) ester
CID 11219269
Thiophosphoric acid dec-9-enyl ester
CID 11288209
Phosphoric acid mono-((E)-tetradec-11-enyl) ester
CID 11312382
Phosphoric acid monodec-9-enyl ester
CID 11447695
Disodium Oleyl Phosphate
CID 87093817
Oleyl ether phosphate (acid)
CID 6436357
Dioleyl phosphonate
CID 13652276
Phosphoric Acid Oleyl Ester
CID 6437191
Phosphonic acid, di-9-octadecen-1-yl ester
CID 6437966

Frequently Asked Questions

What is the IUPAC name of bis(undec-10-enyl) hydrogen phosphate?
The IUPAC name of bis(undec-10-enyl) hydrogen phosphate (CID 21344252) is bis(undec-10-enyl) hydrogen phosphate.
What is the SMILES notation for bis(undec-10-enyl) hydrogen phosphate?
The canonical SMILES for bis(undec-10-enyl) hydrogen phosphate is C=CCCCCCCCCCOP(=O)(O)OCCCCCCCCCC=C.
What is the InChIKey of bis(undec-10-enyl) hydrogen phosphate?
The InChIKey is FAWAZWCVXRFXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43O4P/c1-3-5-7-9-11-13-15-17-19-21-25-27(23,24)26-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2,(H,23,24).
What are the key properties of bis(undec-10-enyl) hydrogen phosphate?
bis(undec-10-enyl) hydrogen phosphate has a molecular weight of 402.56 g/mol, XLogP of 7.73, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(undec-10-enyl) hydrogen phosphate is sourced from PubChem (CID 21344252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).