[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid

C8H15O3P — CID 58212588

IUPAC[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid
SMILESC=C[C@@H]1C[C@]1(C)P(=O)(O)OCC
InChIInChI=1S/C8H15O3P/c1-4-7-6-8(7,3)12(9,10)11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)/t7-,8+/m1/s1
InChIKeyZACFLUUATNNYGT-SFYZADRCSA-N
MW190.18 g/mol
LogP2.17
Rot. Bonds4

About [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid

[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid (PubChem CID 58212588) has the molecular formula C8H15O3P and a molecular weight of 190.18 g/mol. Its IUPAC name is [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid
PubChem CID58212588
Molecular FormulaC8H15O3P
Molecular Weight190.18 g/mol
Exact Mass190.08
IUPAC Name[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid
SMILESC=C[C@@H]1C[C@]1(C)P(=O)(O)OCC
InChIInChI=1S/C8H15O3P/c1-4-7-6-8(7,3)12(9,10)11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)/t7-,8+/m1/s1
InChIKeyZACFLUUATNNYGT-SFYZADRCSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid?
The IUPAC name of [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid (CID 58212588) is [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid.
What is the SMILES notation for [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid?
The canonical SMILES for [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid is C=C[C@@H]1C[C@]1(C)P(=O)(O)OCC.
What is the InChIKey of [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid?
The InChIKey is ZACFLUUATNNYGT-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15O3P/c1-4-7-6-8(7,3)12(9,10)11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)/t7-,8+/m1/s1.
What are the key properties of [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid?
[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid has a molecular weight of 190.18 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid is sourced from PubChem (CID 58212588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).