cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium

C13H24O2P+ — CID 54422454

IUPACcyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium
SMILESO=[P+](C1CCCCC1)C1(CO)CCCCC1
InChIInChI=1S/C13H24O2P/c14-11-13(9-5-2-6-10-13)16(15)12-7-3-1-4-8-12/h12,14H,1-11H2/q+1
InChIKeyIJKHSWXYZCINRY-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.84
Rot. Bonds3

About cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium

cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium (PubChem CID 54422454) has the molecular formula C13H24O2P+ and a molecular weight of 243.31 g/mol. Its IUPAC name is cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium.

Molecular Properties

Compound Namecyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium
PubChem CID54422454
Molecular FormulaC13H24O2P+
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Namecyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium
SMILESO=[P+](C1CCCCC1)C1(CO)CCCCC1
InChIInChI=1S/C13H24O2P/c14-11-13(9-5-2-6-10-13)16(15)12-7-3-1-4-8-12/h12,14H,1-11H2/q+1
InChIKeyIJKHSWXYZCINRY-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium?
The IUPAC name of cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium (CID 54422454) is cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium.
What is the SMILES notation for cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium?
The canonical SMILES for cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium is O=[P+](C1CCCCC1)C1(CO)CCCCC1.
What is the InChIKey of cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium?
The InChIKey is IJKHSWXYZCINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2P/c14-11-13(9-5-2-6-10-13)16(15)12-7-3-1-4-8-12/h12,14H,1-11H2/q+1.
What are the key properties of cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium?
cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium has a molecular weight of 243.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(hydroxymethyl)cyclohexyl]-oxophosphanium is sourced from PubChem (CID 54422454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).