hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium

C17H30O2P+ — CID 19809616

IUPAChydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[P+](=O)O
InChIInChI=1S/C17H29O2P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-20(18)19/h9-10,13H,5-8,11-12,14H2,1-4H3/p+1/b16-10+,17-13+
InChIKeyDBMJQLCHDYXKNZ-QKXOVSGLSA-O
MW297.40 g/mol
LogP5.92
Rot. Bonds10

About hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium

hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium (PubChem CID 19809616) has the molecular formula C17H30O2P+ and a molecular weight of 297.40 g/mol. Its IUPAC name is hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium
PubChem CID19809616
Molecular FormulaC17H30O2P+
Molecular Weight297.40 g/mol
Exact Mass297.20
IUPAC Namehydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[P+](=O)O
InChIInChI=1S/C17H29O2P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-20(18)19/h9-10,13H,5-8,11-12,14H2,1-4H3/p+1/b16-10+,17-13+
InChIKeyDBMJQLCHDYXKNZ-QKXOVSGLSA-O
XLogP5.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium?
The IUPAC name of hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium (CID 19809616) is hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[P+](=O)O.
What is the InChIKey of hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium?
The InChIKey is DBMJQLCHDYXKNZ-QKXOVSGLSA-O. The full InChI is InChI=1S/C17H29O2P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-20(18)19/h9-10,13H,5-8,11-12,14H2,1-4H3/p+1/b16-10+,17-13+.
What are the key properties of hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium?
hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium has a molecular weight of 297.40 g/mol, XLogP of 5.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium is sourced from PubChem (CID 19809616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).