[cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium

C7H14O3P+ — CID 19690875

IUPAC[cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)C(O)C1CCCCC1
InChIInChI=1S/C7H13O3P/c8-7(11(9)10)6-4-2-1-3-5-6/h6-8H,1-5H2/p+1
InChIKeyDLUMKXDKLCBNNW-UHFFFAOYSA-O
MW177.16 g/mol
LogP1.62
Rot. Bonds2

About [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium

[cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium (PubChem CID 19690875) has the molecular formula C7H14O3P+ and a molecular weight of 177.16 g/mol. Its IUPAC name is [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium
PubChem CID19690875
Molecular FormulaC7H14O3P+
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Name[cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)C(O)C1CCCCC1
InChIInChI=1S/C7H13O3P/c8-7(11(9)10)6-4-2-1-3-5-6/h6-8H,1-5H2/p+1
InChIKeyDLUMKXDKLCBNNW-UHFFFAOYSA-O
XLogP1.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
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(hydroxy)methyl]-hydroxy-oxophosphanium?
The IUPAC name of [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium (CID 19690875) is [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium?
The canonical SMILES for [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium is O=[P+](O)C(O)C1CCCCC1.
What is the InChIKey of [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium?
The InChIKey is DLUMKXDKLCBNNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13O3P/c8-7(11(9)10)6-4-2-1-3-5-6/h6-8H,1-5H2/p+1.
What are the key properties of [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium?
[cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium has a molecular weight of 177.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 19690875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).