2-cyclohexylethenyl-ethoxy-oxophosphanium

C10H18O2P+ — CID 66796817

IUPAC2-cyclohexylethenyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C=CC1CCCCC1
InChIInChI=1S/C10H18O2P/c1-2-12-13(11)9-8-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/q+1
InChIKeyIVNTVSFVJYIKNN-UHFFFAOYSA-N
MW201.23 g/mol
LogP3.86
Rot. Bonds4

About 2-cyclohexylethenyl-ethoxy-oxophosphanium

2-cyclohexylethenyl-ethoxy-oxophosphanium (PubChem CID 66796817) has the molecular formula C10H18O2P+ and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-cyclohexylethenyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name2-cyclohexylethenyl-ethoxy-oxophosphanium
PubChem CID66796817
Molecular FormulaC10H18O2P+
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-cyclohexylethenyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C=CC1CCCCC1
InChIInChI=1S/C10H18O2P/c1-2-12-13(11)9-8-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/q+1
InChIKeyIVNTVSFVJYIKNN-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethenyl-ethoxy-oxophosphanium?
The IUPAC name of 2-cyclohexylethenyl-ethoxy-oxophosphanium (CID 66796817) is 2-cyclohexylethenyl-ethoxy-oxophosphanium.
What is the SMILES notation for 2-cyclohexylethenyl-ethoxy-oxophosphanium?
The canonical SMILES for 2-cyclohexylethenyl-ethoxy-oxophosphanium is CCO[P+](=O)C=CC1CCCCC1.
What is the InChIKey of 2-cyclohexylethenyl-ethoxy-oxophosphanium?
The InChIKey is IVNTVSFVJYIKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2P/c1-2-12-13(11)9-8-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/q+1.
What are the key properties of 2-cyclohexylethenyl-ethoxy-oxophosphanium?
2-cyclohexylethenyl-ethoxy-oxophosphanium has a molecular weight of 201.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethenyl-ethoxy-oxophosphanium is sourced from PubChem (CID 66796817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).