cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium

C17H32O8P2+2 — CID 87086368

IUPACcyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium
SMILESO=[P+](OCC(CO)(CO)CO[P+](=O)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C17H32O8P2/c18-11-17(12-19,13-22-26(20)24-15-7-3-1-4-8-15)14-23-27(21)25-16-9-5-2-6-10-16/h15-16,18-19H,1-14H2/q+2
InChIKeyFFSHZMMSEYSIRL-UHFFFAOYSA-N
MW426.38 g/mol
LogP4.00
Rot. Bonds12

About cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium

cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium (PubChem CID 87086368) has the molecular formula C17H32O8P2+2 and a molecular weight of 426.38 g/mol. Its IUPAC name is cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium.

Molecular Properties

Compound Namecyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium
PubChem CID87086368
Molecular FormulaC17H32O8P2+2
Molecular Weight426.38 g/mol
Exact Mass426.16
IUPAC Namecyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium
SMILESO=[P+](OCC(CO)(CO)CO[P+](=O)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C17H32O8P2/c18-11-17(12-19,13-22-26(20)24-15-7-3-1-4-8-15)14-23-27(21)25-16-9-5-2-6-10-16/h15-16,18-19H,1-14H2/q+2
InChIKeyFFSHZMMSEYSIRL-UHFFFAOYSA-N
XLogP4.00
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

di(cyclooctyloxy)-oxophosphanium
CID 164745910
cyclohexanecarboxylic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 122611359
1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
CID 66797035
(cyclohexylamino)-cyclohexyloxy-oxophosphanium
CID 163740962
cyclohexyloxyarsinic acid
CID 154070116
but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate
CID 158060696
3-cyclohexyloxy-2-(ethylamino)-2-methylpropan-1-ol
CID 64805107
cyclohexyl hydroxymethyl carbonate
CID 54112347
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
cyclohenicosyl 4-acetyloxy-3,3-bis(acetyloxymethyl)butanoate
CID 59092825
2,2,2-trifluoroethoxycycloheptane
CID 148866146
cyclohexyl nitrite;nitrous acid
CID 174432355

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium?
The IUPAC name of cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium (CID 87086368) is cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium.
What is the SMILES notation for cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium?
The canonical SMILES for cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium is O=[P+](OCC(CO)(CO)CO[P+](=O)OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium?
The InChIKey is FFSHZMMSEYSIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O8P2/c18-11-17(12-19,13-22-26(20)24-15-7-3-1-4-8-15)14-23-27(21)25-16-9-5-2-6-10-16/h15-16,18-19H,1-14H2/q+2.
What are the key properties of cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium?
cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium has a molecular weight of 426.38 g/mol, XLogP of 4.00, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium is sourced from PubChem (CID 87086368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).