oxido-oxo-(1-phenylhex-1-enyl)phosphanium

C12H15O2P — CID 154192671

IUPACoxido-oxo-(1-phenylhex-1-enyl)phosphanium
SMILESCCCCC=C(c1ccccc1)[P+](=O)[O-]
InChIInChI=1S/C12H15O2P/c1-2-3-5-10-12(15(13)14)11-8-6-4-7-9-11/h4,6-10H,2-3,5H2,1H3
InChIKeyMYSGKHASSLRJOG-UHFFFAOYSA-N
MW222.22 g/mol
LogP3.32
Rot. Bonds5

About oxido-oxo-(1-phenylhex-1-enyl)phosphanium

oxido-oxo-(1-phenylhex-1-enyl)phosphanium (PubChem CID 154192671) has the molecular formula C12H15O2P and a molecular weight of 222.22 g/mol. Its IUPAC name is oxido-oxo-(1-phenylhex-1-enyl)phosphanium.

Molecular Properties

Compound Nameoxido-oxo-(1-phenylhex-1-enyl)phosphanium
PubChem CID154192671
Molecular FormulaC12H15O2P
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nameoxido-oxo-(1-phenylhex-1-enyl)phosphanium
SMILESCCCCC=C(c1ccccc1)[P+](=O)[O-]
InChIInChI=1S/C12H15O2P/c1-2-3-5-10-12(15(13)14)11-8-6-4-7-9-11/h4,6-10H,2-3,5H2,1H3
InChIKeyMYSGKHASSLRJOG-UHFFFAOYSA-N
XLogP3.32
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 53.32
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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Related Compounds

[(E)-1-dimethoxyphosphorylhex-1-enyl] benzoate
CID 102206575
methyl (Z)-2-phenyloct-2-enoate
CID 13480315
methyl (E)-2-phenyloct-2-enoate
CID 13480316
(E)-4-butyl-1-phenylnon-4-en-1-one
CID 12963608
methyl benzoate;pentane
CID 142510193
2-fluoro-1-phenyloct-2-en-1-one
CID 71437932
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
2-butyl-1-phenylnon-2-en-1-one
CID 57359358
(111C)butyl benzoate
CID 11994383
2-phenylundec-2-ene-1-thiol
CID 175069404
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388

Frequently Asked Questions

What is the IUPAC name of oxido-oxo-(1-phenylhex-1-enyl)phosphanium?
The IUPAC name of oxido-oxo-(1-phenylhex-1-enyl)phosphanium (CID 154192671) is oxido-oxo-(1-phenylhex-1-enyl)phosphanium.
What is the SMILES notation for oxido-oxo-(1-phenylhex-1-enyl)phosphanium?
The canonical SMILES for oxido-oxo-(1-phenylhex-1-enyl)phosphanium is CCCCC=C(c1ccccc1)[P+](=O)[O-].
What is the InChIKey of oxido-oxo-(1-phenylhex-1-enyl)phosphanium?
The InChIKey is MYSGKHASSLRJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O2P/c1-2-3-5-10-12(15(13)14)11-8-6-4-7-9-11/h4,6-10H,2-3,5H2,1H3.
What are the key properties of oxido-oxo-(1-phenylhex-1-enyl)phosphanium?
oxido-oxo-(1-phenylhex-1-enyl)phosphanium has a molecular weight of 222.22 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-oxo-(1-phenylhex-1-enyl)phosphanium is sourced from PubChem (CID 154192671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).