bis(non-8-enyl) hydrogen phosphate

C18H35O4P — CID 59984020

IUPACbis(non-8-enyl) hydrogen phosphate
SMILESC=CCCCCCCCOP(=O)(O)OCCCCCCCC=C
InChIInChI=1S/C18H35O4P/c1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-18H2,(H,19,20)
InChIKeyVJCZVSPOCQTMRY-UHFFFAOYSA-N
MW346.45 g/mol
LogP6.17
Rot. Bonds18

About bis(non-8-enyl) hydrogen phosphate

bis(non-8-enyl) hydrogen phosphate (PubChem CID 59984020) has the molecular formula C18H35O4P and a molecular weight of 346.45 g/mol. Its IUPAC name is bis(non-8-enyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(non-8-enyl) hydrogen phosphate
PubChem CID59984020
Molecular FormulaC18H35O4P
Molecular Weight346.45 g/mol
Exact Mass346.23
IUPAC Namebis(non-8-enyl) hydrogen phosphate
SMILESC=CCCCCCCCOP(=O)(O)OCCCCCCCC=C
InChIInChI=1S/C18H35O4P/c1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-18H2,(H,19,20)
InChIKeyVJCZVSPOCQTMRY-UHFFFAOYSA-N
XLogP6.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 56.17
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(non-8-enyl) hydrogen phosphate?
The IUPAC name of bis(non-8-enyl) hydrogen phosphate (CID 59984020) is bis(non-8-enyl) hydrogen phosphate.
What is the SMILES notation for bis(non-8-enyl) hydrogen phosphate?
The canonical SMILES for bis(non-8-enyl) hydrogen phosphate is C=CCCCCCCCOP(=O)(O)OCCCCCCCC=C.
What is the InChIKey of bis(non-8-enyl) hydrogen phosphate?
The InChIKey is VJCZVSPOCQTMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35O4P/c1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-18H2,(H,19,20).
What are the key properties of bis(non-8-enyl) hydrogen phosphate?
bis(non-8-enyl) hydrogen phosphate has a molecular weight of 346.45 g/mol, XLogP of 6.17, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(non-8-enyl) hydrogen phosphate is sourced from PubChem (CID 59984020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).