diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate

C12H21O4P — CID 134852509

IUPACdiethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate
SMILESC=CC[C@@H]1C=CC[C@H]1OP(=O)(OCC)OCC
InChIInChI=1S/C12H21O4P/c1-4-8-11-9-7-10-12(11)16-17(13,14-5-2)15-6-3/h4,7,9,11-12H,1,5-6,8,10H2,2-3H3/t11-,12-/m1/s1
InChIKeyDETUONJTGRYLMZ-VXGBXAGGSA-N
MW260.27 g/mol
LogP3.70
Rot. Bonds8

About diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate

diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate (PubChem CID 134852509) has the molecular formula C12H21O4P and a molecular weight of 260.27 g/mol. Its IUPAC name is diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate.

Molecular Properties

Compound Namediethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate
PubChem CID134852509
Molecular FormulaC12H21O4P
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Namediethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate
SMILESC=CC[C@@H]1C=CC[C@H]1OP(=O)(OCC)OCC
InChIInChI=1S/C12H21O4P/c1-4-8-11-9-7-10-12(11)16-17(13,14-5-2)15-6-3/h4,7,9,11-12H,1,5-6,8,10H2,2-3H3/t11-,12-/m1/s1
InChIKeyDETUONJTGRYLMZ-VXGBXAGGSA-N
XLogP3.70
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 ≤ 53.70
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

diethyl [(1R,2R)-2-ethylcyclohept-3-en-1-yl] phosphate
CID 11277381
diethyl [(1R,2R)-2-ethylcyclopent-3-en-1-yl] phosphate
CID 11288104
diethyl [(1R,2R)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 11414336
diethyl [(1R,2S)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 101227861
diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
CID 11097868
diethyl [(1S,2S)-2-ethylcyclopent-3-en-1-yl] phosphate
CID 11288103
[(1R,5R)-1-deuterio-5-methylcyclohex-2-en-1-yl] diethyl phosphate
CID 134842119
diethyl [(1S,5R)-5-methylcyclohex-2-en-1-yl] phosphate
CID 134860073
diethyl [(1R,2R)-2-prop-2-enylcyclohex-3-en-1-yl] phosphate
CID 134863849
[(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate
CID 134939360
diethyl [(1R,2S)-2-ethylcyclopent-3-en-1-yl] phosphate
CID 139263587
diethyl [(1R,2S)-2-ethylcyclohept-3-en-1-yl] phosphate
CID 139263588

Frequently Asked Questions

What is the IUPAC name of diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate?
The IUPAC name of diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate (CID 134852509) is diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate.
What is the SMILES notation for diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate?
The canonical SMILES for diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate is C=CC[C@@H]1C=CC[C@H]1OP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate?
The InChIKey is DETUONJTGRYLMZ-VXGBXAGGSA-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/h4,7,9,11-12H,1,5-6,8,10H2,2-3H3/t11-,12-/m1/s1.
What are the key properties of diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate?
diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate has a molecular weight of 260.27 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate is sourced from PubChem (CID 134852509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).