[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium

C8H14O2P+ — CID 70640172

IUPAC[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium
SMILESC=C[C@@H]1C[C@]1(C)[P+](=O)OCC
InChIInChI=1S/C8H14O2P/c1-4-7-6-8(7,3)11(9)10-5-2/h4,7H,1,5-6H2,2-3H3/q+1/t7-,8+/m1/s1
InChIKeyXTMNZZCVZAVNCG-SFYZADRCSA-N
MW173.17 g/mol
LogP2.73
Rot. Bonds4

About [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium

[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium (PubChem CID 70640172) has the molecular formula C8H14O2P+ and a molecular weight of 173.17 g/mol. Its IUPAC name is [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium.

Molecular Properties

Compound Name[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium
PubChem CID70640172
Molecular FormulaC8H14O2P+
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium
SMILESC=C[C@@H]1C[C@]1(C)[P+](=O)OCC
InChIInChI=1S/C8H14O2P/c1-4-7-6-8(7,3)11(9)10-5-2/h4,7H,1,5-6H2,2-3H3/q+1/t7-,8+/m1/s1
InChIKeyXTMNZZCVZAVNCG-SFYZADRCSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
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]-ethoxy-oxophosphanium?
The IUPAC name of [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium (CID 70640172) is [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium.
What is the SMILES notation for [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium?
The canonical SMILES for [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium is C=C[C@@H]1C[C@]1(C)[P+](=O)OCC.
What is the InChIKey of [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium?
The InChIKey is XTMNZZCVZAVNCG-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O2P/c1-4-7-6-8(7,3)11(9)10-5-2/h4,7H,1,5-6H2,2-3H3/q+1/t7-,8+/m1/s1.
What are the key properties of [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium?
[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium has a molecular weight of 173.17 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium is sourced from PubChem (CID 70640172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).