(1-methylcyclohexyl)phosphonic acid

C7H15O3P — CID 154345979

IUPAC(1-methylcyclohexyl)phosphonic acid
SMILESCC1(P(=O)(O)O)CCCCC1
InChIInChI=1S/C7H15O3P/c1-7(11(8,9)10)5-3-2-4-6-7/h2-6H2,1H3,(H2,8,9,10)
InChIKeyQUESQHALMNNUKF-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.89
Rot. Bonds1

About (1-methylcyclohexyl)phosphonic acid

(1-methylcyclohexyl)phosphonic acid (PubChem CID 154345979) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is (1-methylcyclohexyl)phosphonic acid.

Molecular Properties

Compound Name(1-methylcyclohexyl)phosphonic acid
PubChem CID154345979
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name(1-methylcyclohexyl)phosphonic acid
SMILESCC1(P(=O)(O)O)CCCCC1
InChIInChI=1S/C7H15O3P/c1-7(11(8,9)10)5-3-2-4-6-7/h2-6H2,1H3,(H2,8,9,10)
InChIKeyQUESQHALMNNUKF-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)phosphonic acid?
The IUPAC name of (1-methylcyclohexyl)phosphonic acid (CID 154345979) is (1-methylcyclohexyl)phosphonic acid.
What is the SMILES notation for (1-methylcyclohexyl)phosphonic acid?
The canonical SMILES for (1-methylcyclohexyl)phosphonic acid is CC1(P(=O)(O)O)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)phosphonic acid?
The InChIKey is QUESQHALMNNUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-7(11(8,9)10)5-3-2-4-6-7/h2-6H2,1H3,(H2,8,9,10).
What are the key properties of (1-methylcyclohexyl)phosphonic acid?
(1-methylcyclohexyl)phosphonic acid has a molecular weight of 178.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)phosphonic acid is sourced from PubChem (CID 154345979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).