[(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol

C13H25O5P — CID 10266323

IUPAC[(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESCCOP(=O)(CC1=CC[C@@H](CO)[C@H](CO)C1)OCC
InChIInChI=1S/C13H25O5P/c1-3-17-19(16,18-4-2)10-11-5-6-12(8-14)13(7-11)9-15/h5,12-15H,3-4,6-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyBZCYNUDFOHACPV-STQMWFEESA-N
MW292.31 g/mol
LogP2.19
Rot. Bonds8

About [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol

[(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 10266323) has the molecular formula C13H25O5P and a molecular weight of 292.31 g/mol. Its IUPAC name is [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
PubChem CID10266323
Molecular FormulaC13H25O5P
Molecular Weight292.31 g/mol
Exact Mass292.14
IUPAC Name[(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESCCOP(=O)(CC1=CC[C@@H](CO)[C@H](CO)C1)OCC
InChIInChI=1S/C13H25O5P/c1-3-17-19(16,18-4-2)10-11-5-6-12(8-14)13(7-11)9-15/h5,12-15H,3-4,6-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyBZCYNUDFOHACPV-STQMWFEESA-N
XLogP2.19
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (CID 10266323) is [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is CCOP(=O)(CC1=CC[C@@H](CO)[C@H](CO)C1)OCC.
What is the InChIKey of [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is BZCYNUDFOHACPV-STQMWFEESA-N. The full InChI is InChI=1S/C13H25O5P/c1-3-17-19(16,18-4-2)10-11-5-6-12(8-14)13(7-11)9-15/h5,12-15H,3-4,6-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
[(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 292.31 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-4-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 10266323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).