diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate

C10H18IO4P — CID 11210590

IUPACdiethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate
SMILESCCOP(=O)(OCC)O[C@@H]1CCCC=C1I
InChIInChI=1S/C10H18IO4P/c1-3-13-16(12,14-4-2)15-10-8-6-5-7-9(10)11/h7,10H,3-6,8H2,1-2H3/t10-/m1/s1
InChIKeyVTSPBKXMNWNGJO-SNVBAGLBSA-N
MW360.13 g/mol
LogP4.06
Rot. Bonds6

About diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate

diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate (PubChem CID 11210590) has the molecular formula C10H18IO4P and a molecular weight of 360.13 g/mol. Its IUPAC name is diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate.

Molecular Properties

Compound Namediethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate
PubChem CID11210590
Molecular FormulaC10H18IO4P
Molecular Weight360.13 g/mol
Exact Mass360.00
IUPAC Namediethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate
SMILESCCOP(=O)(OCC)O[C@@H]1CCCC=C1I
InChIInChI=1S/C10H18IO4P/c1-3-13-16(12,14-4-2)15-10-8-6-5-7-9(10)11/h7,10H,3-6,8H2,1-2H3/t10-/m1/s1
InChIKeyVTSPBKXMNWNGJO-SNVBAGLBSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-2-en-1-yl diethyl phosphate
CID 10421524
[(1R,4S)-4-diethoxyphosphoryloxycyclohex-2-en-1-yl] diethyl phosphate
CID 12141519
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737
diethyl [(1R)-2-iodo-4,4-dimethylcyclohex-2-en-1-yl] phosphate
CID 11486035
Cyclohexen-1-yl dipropan-2-yl phosphate
CID 13860809
diethyl [(1S)-2-iodo-3-methylcyclopent-2-en-1-yl] phosphate
CID 16069322
diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate
CID 101240524
diethyl [(1S)-2-iodocyclopent-2-en-1-yl] phosphate
CID 102402371
[(1S)-cyclohex-2-en-1-yl] diethyl phosphate
CID 132515185
(1-Deuteriocyclohex-2-en-1-yl) diethyl phosphate
CID 134860192
diethyl [(E)-non-5-en-4-yl] phosphate
CID 134891116
diethyl [(1S)-2-iodocyclohex-2-en-1-yl] phosphate
CID 154722358

Frequently Asked Questions

What is the IUPAC name of diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate?
The IUPAC name of diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate (CID 11210590) is diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate.
What is the SMILES notation for diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate?
The canonical SMILES for diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate is CCOP(=O)(OCC)O[C@@H]1CCCC=C1I.
What is the InChIKey of diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate?
The InChIKey is VTSPBKXMNWNGJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18IO4P/c1-3-13-16(12,14-4-2)15-10-8-6-5-7-9(10)11/h7,10H,3-6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate?
diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate has a molecular weight of 360.13 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate is sourced from PubChem (CID 11210590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).