[(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol

C12H25O5P — CID 58777439

IUPAC[(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol
SMILESCC(C)OP(=O)(CO[C@]1(CO)C[C@H]1C)OC(C)C
InChIInChI=1S/C12H25O5P/c1-9(2)16-18(14,17-10(3)4)8-15-12(7-13)6-11(12)5/h9-11,13H,6-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyRDOHYZFLFWGCCS-NEPJUHHUSA-N
MW280.30 g/mol
LogP2.77
Rot. Bonds8

About [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol

[(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol (PubChem CID 58777439) has the molecular formula C12H25O5P and a molecular weight of 280.30 g/mol. Its IUPAC name is [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol
PubChem CID58777439
Molecular FormulaC12H25O5P
Molecular Weight280.30 g/mol
Exact Mass280.14
IUPAC Name[(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol
SMILESCC(C)OP(=O)(CO[C@]1(CO)C[C@H]1C)OC(C)C
InChIInChI=1S/C12H25O5P/c1-9(2)16-18(14,17-10(3)4)8-15-12(7-13)6-11(12)5/h9-11,13H,6-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyRDOHYZFLFWGCCS-NEPJUHHUSA-N
XLogP2.77
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]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,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol?
The IUPAC name of [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol (CID 58777439) is [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol is CC(C)OP(=O)(CO[C@]1(CO)C[C@H]1C)OC(C)C.
What is the InChIKey of [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol?
The InChIKey is RDOHYZFLFWGCCS-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H25O5P/c1-9(2)16-18(14,17-10(3)4)8-15-12(7-13)6-11(12)5/h9-11,13H,6-8H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol?
[(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol has a molecular weight of 280.30 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methanol is sourced from PubChem (CID 58777439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).