2-diethoxyphosphorylhex-5-enylcyclopropane

C13H25O3P — CID 53392046

IUPAC2-diethoxyphosphorylhex-5-enylcyclopropane
SMILESC=CCCC(CC1CC1)P(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-4-7-8-13(11-12-9-10-12)17(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyWDSZNNRMWLDAKP-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.39
Rot. Bonds10

About 2-diethoxyphosphorylhex-5-enylcyclopropane

2-diethoxyphosphorylhex-5-enylcyclopropane (PubChem CID 53392046) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-diethoxyphosphorylhex-5-enylcyclopropane.

Molecular Properties

Compound Name2-diethoxyphosphorylhex-5-enylcyclopropane
PubChem CID53392046
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name2-diethoxyphosphorylhex-5-enylcyclopropane
SMILESC=CCCC(CC1CC1)P(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-4-7-8-13(11-12-9-10-12)17(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyWDSZNNRMWLDAKP-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene
CID 134895023
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
CID 134895029
(Z)-1-diethoxyphosphoryl-4-methyltetradec-2-ene
CID 134982133
(E)-1-diethoxyphosphoryl-4-methyltetradec-2-ene
CID 134983431
2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane
CID 138983871
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 58212706
2-Cyclohexylethenyl-ethoxy-oxophosphanium
CID 66796817
9-Methyldec-1-enyl dihydrogen phosphate
CID 89540057
1-Diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane
CID 123599491
2-Diethoxyphosphorylethenylcyclohexane
CID 149918208
[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane
CID 10539261

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylhex-5-enylcyclopropane?
The IUPAC name of 2-diethoxyphosphorylhex-5-enylcyclopropane (CID 53392046) is 2-diethoxyphosphorylhex-5-enylcyclopropane.
What is the SMILES notation for 2-diethoxyphosphorylhex-5-enylcyclopropane?
The canonical SMILES for 2-diethoxyphosphorylhex-5-enylcyclopropane is C=CCCC(CC1CC1)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylhex-5-enylcyclopropane?
The InChIKey is WDSZNNRMWLDAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O3P/c1-4-7-8-13(11-12-9-10-12)17(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of 2-diethoxyphosphorylhex-5-enylcyclopropane?
2-diethoxyphosphorylhex-5-enylcyclopropane has a molecular weight of 260.31 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylhex-5-enylcyclopropane is sourced from PubChem (CID 53392046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).