diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate

C12H21O4P — CID 46854275

IUPACdiethyl (2-prop-2-enylcyclopenten-1-yl) phosphate
SMILESC=CCC1=C(OP(=O)(OCC)OCC)CCC1
InChIInChI=1S/C12H21O4P/c1-4-8-11-9-7-10-12(11)16-17(13,14-5-2)15-6-3/h4H,1,5-10H2,2-3H3
InChIKeySREOSZVNNKPVMJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP4.20
Rot. Bonds8

About diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate

diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate (PubChem CID 46854275) has the molecular formula C12H21O4P and a molecular weight of 260.27 g/mol. Its IUPAC name is diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate.

Molecular Properties

Compound Namediethyl (2-prop-2-enylcyclopenten-1-yl) phosphate
PubChem CID46854275
Molecular FormulaC12H21O4P
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Namediethyl (2-prop-2-enylcyclopenten-1-yl) phosphate
SMILESC=CCC1=C(OP(=O)(OCC)OCC)CCC1
InChIInChI=1S/C12H21O4P/c1-4-8-11-9-7-10-12(11)16-17(13,14-5-2)15-6-3/h4H,1,5-10H2,2-3H3
InChIKeySREOSZVNNKPVMJ-UHFFFAOYSA-N
XLogP4.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
1-Cyclohexen-1-yl diethyl phosphate
CID 78196
[(1E)-cyclododecen-1-yl] diethyl phosphate
CID 10495788
1-Cyclopenten-1-yl diethyl phosphate
CID 11063950
Diethyl 2-methyl-1-cyclohexen-1-yl phosphate
CID 14915288
Cyclohexen-1-ylmethyl diethyl phosphate
CID 135026786
ditert-butyl [(E)-dodec-9-enyl] phosphate
CID 11176347
ditert-butyl [(E)-tetradec-9-enyl] phosphate
CID 11235104
ditert-butyl [(E)-tetradec-11-enyl] phosphate
CID 11486533
[(Z)-tetradec-11-enyl] dihydrogen phosphate
CID 58851139

Frequently Asked Questions

What is the IUPAC name of diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate?
The IUPAC name of diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate (CID 46854275) is diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate.
What is the SMILES notation for diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate?
The canonical SMILES for diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate is C=CCC1=C(OP(=O)(OCC)OCC)CCC1.
What is the InChIKey of diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate?
The InChIKey is SREOSZVNNKPVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O4P/c1-4-8-11-9-7-10-12(11)16-17(13,14-5-2)15-6-3/h4H,1,5-10H2,2-3H3.
What are the key properties of diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate?
diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate has a molecular weight of 260.27 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate is sourced from PubChem (CID 46854275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).