decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium

C22H36O2P+ — CID 177438388

IUPACdecyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium
SMILESCCCCCCCCCC[P+](=O)O[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C22H36O2P/c1-2-3-4-5-6-7-8-14-19-25(23)24-22-18-13-12-17-21(22)20-15-10-9-11-16-20/h9-11,15-16,21-22H,2-8,12-14,17-19H2,1H3/q+1/t21-,22+/m0/s1
InChIKeyGUBJOTWDUPTGFT-FCHUYYIVSA-N
MW363.50 g/mol
LogP7.61
Rot. Bonds12

About decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium

decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium (PubChem CID 177438388) has the molecular formula C22H36O2P+ and a molecular weight of 363.50 g/mol. Its IUPAC name is decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium.

Molecular Properties

Compound Namedecyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium
PubChem CID177438388
Molecular FormulaC22H36O2P+
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Namedecyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium
SMILESCCCCCCCCCC[P+](=O)O[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C22H36O2P/c1-2-3-4-5-6-7-8-14-19-25(23)24-22-18-13-12-17-21(22)20-15-10-9-11-16-20/h9-11,15-16,21-22H,2-8,12-14,17-19H2,1H3/q+1/t21-,22+/m0/s1
InChIKeyGUBJOTWDUPTGFT-FCHUYYIVSA-N
XLogP7.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.61
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

hexyl-oxo-phenoxyphosphanium
CID 67135564
oxo-pentyl-phenoxyphosphanium
CID 67135329
[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
CID 121416459
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
(2-phenylcyclohexyl) formate
CID 87286934
[2-(4-phenylmethoxyphenyl)cyclohexyl] hexanoate
CID 76510080
[(1R,2R)-2-phenylcyclohexyl] [(1S,2R)-2-phenylcyclohexyl] [(1S,2S)-2-phenylcyclohexyl] borate
CID 125124690
(2-butylcyclopentyl)benzene
CID 20616758
[(1R,2S)-2-(4-ethoxyphenyl)cyclohexyl] dodecanoate
CID 54392313
1-decoxy-4-[4-[(1R,2S)-2-methoxycyclohexyl]phenyl]benzene
CID 56637066
1-[(1R,2S)-2-methoxycyclohexyl]-4-(4-nonoxyphenyl)benzene
CID 56632002
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294

Frequently Asked Questions

What is the IUPAC name of decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium?
The IUPAC name of decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium (CID 177438388) is decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium.
What is the SMILES notation for decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium?
The canonical SMILES for decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium is CCCCCCCCCC[P+](=O)O[C@@H]1CCCC[C@H]1c1ccccc1.
What is the InChIKey of decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium?
The InChIKey is GUBJOTWDUPTGFT-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H36O2P/c1-2-3-4-5-6-7-8-14-19-25(23)24-22-18-13-12-17-21(22)20-15-10-9-11-16-20/h9-11,15-16,21-22H,2-8,12-14,17-19H2,1H3/q+1/t21-,22+/m0/s1.
What are the key properties of decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium?
decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium has a molecular weight of 363.50 g/mol, XLogP of 7.61, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium is sourced from PubChem (CID 177438388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).