butoxy-(2-cyclohexylethenyl)-oxophosphanium

C12H22O2P+ — CID 66796909

IUPACbutoxy-(2-cyclohexylethenyl)-oxophosphanium
SMILESCCCCO[P+](=O)C=CC1CCCCC1
InChIInChI=1S/C12H22O2P/c1-2-3-10-14-15(13)11-9-12-7-5-4-6-8-12/h9,11-12H,2-8,10H2,1H3/q+1
InChIKeyGFUASIHGZRWKLW-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.64
Rot. Bonds6

About butoxy-(2-cyclohexylethenyl)-oxophosphanium

butoxy-(2-cyclohexylethenyl)-oxophosphanium (PubChem CID 66796909) has the molecular formula C12H22O2P+ and a molecular weight of 229.28 g/mol. Its IUPAC name is butoxy-(2-cyclohexylethenyl)-oxophosphanium.

Molecular Properties

Compound Namebutoxy-(2-cyclohexylethenyl)-oxophosphanium
PubChem CID66796909
Molecular FormulaC12H22O2P+
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Namebutoxy-(2-cyclohexylethenyl)-oxophosphanium
SMILESCCCCO[P+](=O)C=CC1CCCCC1
InChIInChI=1S/C12H22O2P/c1-2-3-10-14-15(13)11-9-12-7-5-4-6-8-12/h9,11-12H,2-8,10H2,1H3/q+1
InChIKeyGFUASIHGZRWKLW-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-(2-cyclohexylethenyl)-oxophosphanium?
The IUPAC name of butoxy-(2-cyclohexylethenyl)-oxophosphanium (CID 66796909) is butoxy-(2-cyclohexylethenyl)-oxophosphanium.
What is the SMILES notation for butoxy-(2-cyclohexylethenyl)-oxophosphanium?
The canonical SMILES for butoxy-(2-cyclohexylethenyl)-oxophosphanium is CCCCO[P+](=O)C=CC1CCCCC1.
What is the InChIKey of butoxy-(2-cyclohexylethenyl)-oxophosphanium?
The InChIKey is GFUASIHGZRWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2P/c1-2-3-10-14-15(13)11-9-12-7-5-4-6-8-12/h9,11-12H,2-8,10H2,1H3/q+1.
What are the key properties of butoxy-(2-cyclohexylethenyl)-oxophosphanium?
butoxy-(2-cyclohexylethenyl)-oxophosphanium has a molecular weight of 229.28 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(2-cyclohexylethenyl)-oxophosphanium is sourced from PubChem (CID 66796909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).