2-cyclohexylethenyl-methoxy-oxophosphanium

C9H16O2P+ — CID 66796968

IUPAC2-cyclohexylethenyl-methoxy-oxophosphanium
SMILESCO[P+](=O)C=CC1CCCCC1
InChIInChI=1S/C9H16O2P/c1-11-12(10)8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/q+1
InChIKeyGWORKDUCQIMQRB-UHFFFAOYSA-N
MW187.20 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclohexylethenyl-methoxy-oxophosphanium

2-cyclohexylethenyl-methoxy-oxophosphanium (PubChem CID 66796968) has the molecular formula C9H16O2P+ and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-cyclohexylethenyl-methoxy-oxophosphanium.

Molecular Properties

Compound Name2-cyclohexylethenyl-methoxy-oxophosphanium
PubChem CID66796968
Molecular FormulaC9H16O2P+
Molecular Weight187.20 g/mol
Exact Mass187.09
IUPAC Name2-cyclohexylethenyl-methoxy-oxophosphanium
SMILESCO[P+](=O)C=CC1CCCCC1
InChIInChI=1S/C9H16O2P/c1-11-12(10)8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/q+1
InChIKeyGWORKDUCQIMQRB-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 53.47
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-methoxy-oxophosphanium?
The IUPAC name of 2-cyclohexylethenyl-methoxy-oxophosphanium (CID 66796968) is 2-cyclohexylethenyl-methoxy-oxophosphanium.
What is the SMILES notation for 2-cyclohexylethenyl-methoxy-oxophosphanium?
The canonical SMILES for 2-cyclohexylethenyl-methoxy-oxophosphanium is CO[P+](=O)C=CC1CCCCC1.
What is the InChIKey of 2-cyclohexylethenyl-methoxy-oxophosphanium?
The InChIKey is GWORKDUCQIMQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2P/c1-11-12(10)8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/q+1.
What are the key properties of 2-cyclohexylethenyl-methoxy-oxophosphanium?
2-cyclohexylethenyl-methoxy-oxophosphanium has a molecular weight of 187.20 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethenyl-methoxy-oxophosphanium is sourced from PubChem (CID 66796968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).