[(1E)-cyclododecen-1-yl] diethyl phosphate

C16H31O4P — CID 10495788

IUPAC[(1E)-cyclododecen-1-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)O/C1=C/CCCCCCCCCC1
InChIInChI=1S/C16H31O4P/c1-3-18-21(17,19-4-2)20-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3/b16-14+
InChIKeyDWGXEXNIAATUHR-JQIJEIRASA-N
MW318.39 g/mol
LogP5.98
Rot. Bonds6

About [(1E)-cyclododecen-1-yl] diethyl phosphate

[(1E)-cyclododecen-1-yl] diethyl phosphate (PubChem CID 10495788) has the molecular formula C16H31O4P and a molecular weight of 318.39 g/mol. Its IUPAC name is [(1E)-cyclododecen-1-yl] diethyl phosphate.

Molecular Properties

Compound Name[(1E)-cyclododecen-1-yl] diethyl phosphate
PubChem CID10495788
Molecular FormulaC16H31O4P
Molecular Weight318.39 g/mol
Exact Mass318.20
IUPAC Name[(1E)-cyclododecen-1-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)O/C1=C/CCCCCCCCCC1
InChIInChI=1S/C16H31O4P/c1-3-18-21(17,19-4-2)20-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3/b16-14+
InChIKeyDWGXEXNIAATUHR-JQIJEIRASA-N
XLogP5.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.39
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
Phosphoric acid mono-((E)-tetradec-11-enyl) ester
CID 11312382
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
9-Octadecen-1-ol, 1,1'-(hydrogen phosphate)
CID 6437965
9-octadecen-1-ol, (9z)-, phosphate, potassium salt
CID 6453761

Frequently Asked Questions

What is the IUPAC name of [(1E)-cyclododecen-1-yl] diethyl phosphate?
The IUPAC name of [(1E)-cyclododecen-1-yl] diethyl phosphate (CID 10495788) is [(1E)-cyclododecen-1-yl] diethyl phosphate.
What is the SMILES notation for [(1E)-cyclododecen-1-yl] diethyl phosphate?
The canonical SMILES for [(1E)-cyclododecen-1-yl] diethyl phosphate is CCOP(=O)(OCC)O/C1=C/CCCCCCCCCC1.
What is the InChIKey of [(1E)-cyclododecen-1-yl] diethyl phosphate?
The InChIKey is DWGXEXNIAATUHR-JQIJEIRASA-N. The full InChI is InChI=1S/C16H31O4P/c1-3-18-21(17,19-4-2)20-16-14-12-10-8-6-5-7-9-11-13-15-16/h14H,3-13,15H2,1-2H3/b16-14+.
What are the key properties of [(1E)-cyclododecen-1-yl] diethyl phosphate?
[(1E)-cyclododecen-1-yl] diethyl phosphate has a molecular weight of 318.39 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cyclododecen-1-yl] diethyl phosphate is sourced from PubChem (CID 10495788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).