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

C9H16IO4P — CID 101240524

IUPACdiethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate
SMILESCCOP(=O)(OCC)O[C@@H]1CCC=C1I
InChIInChI=1S/C9H16IO4P/c1-3-12-15(11,13-4-2)14-9-7-5-6-8(9)10/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeySNFILTMXHPGHSH-SECBINFHSA-N
MW346.10 g/mol
LogP3.67
Rot. Bonds6

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

diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate (PubChem CID 101240524) has the molecular formula C9H16IO4P and a molecular weight of 346.10 g/mol. Its IUPAC name is diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate.

Molecular Properties

Compound Namediethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate
PubChem CID101240524
Molecular FormulaC9H16IO4P
Molecular Weight346.10 g/mol
Exact Mass345.98
IUPAC Namediethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate
SMILESCCOP(=O)(OCC)O[C@@H]1CCC=C1I
InChIInChI=1S/C9H16IO4P/c1-3-12-15(11,13-4-2)14-9-7-5-6-8(9)10/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeySNFILTMXHPGHSH-SECBINFHSA-N
XLogP3.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 53.67
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

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CID 129364890
1-diethoxyphosphoryl-5-methylcyclopentene
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diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate
CID 177390470
cyclohexyl ethyl methyl phosphate
CID 66729683
diethyl [(1R,2S)-2-ethylcyclohept-3-en-1-yl] phosphate
CID 139263588
cyclohexen-1-yl(diethoxyphosphoryl)methanone
CID 13278398
diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate
CID 102268062
1-[bis(iodomethyl)phosphoryloxy]ethane
CID 28223
(1R,4S)-3-diethoxyphosphoryl-2λ4-thia-3-azabicyclo[2.2.2]oct-5-ene 2-oxide
CID 10826518
CID 131882906
CID 131882906
[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
triethyl phosphate;bis(trimethylsilane)
CID 175760856

Frequently Asked Questions

What is the IUPAC name of diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate?
The IUPAC name of diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate (CID 101240524) is diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate.
What is the SMILES notation for diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate?
The canonical SMILES for diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate is CCOP(=O)(OCC)O[C@@H]1CCC=C1I.
What is the InChIKey of diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate?
The InChIKey is SNFILTMXHPGHSH-SECBINFHSA-N. The full InChI is InChI=1S/C9H16IO4P/c1-3-12-15(11,13-4-2)14-9-7-5-6-8(9)10/h6,9H,3-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate?
diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate has a molecular weight of 346.10 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate is sourced from PubChem (CID 101240524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).