(2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol

C8H15O3P — CID 174081226

IUPAC(2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol
SMILESCP(C)(=O)/C=C/[C@H]1OCCC1O
InChIInChI=1S/C8H15O3P/c1-12(2,10)6-4-8-7(9)3-5-11-8/h4,6-9H,3,5H2,1-2H3/b6-4+/t7?,8-/m1/s1
InChIKeyVGLCGNBQOWIPOA-AMWSCBTISA-N
MW190.18 g/mol
LogP1.27
Rot. Bonds2

About (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol

(2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol (PubChem CID 174081226) has the molecular formula C8H15O3P and a molecular weight of 190.18 g/mol. Its IUPAC name is (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol
PubChem CID174081226
Molecular FormulaC8H15O3P
Molecular Weight190.18 g/mol
Exact Mass190.08
IUPAC Name(2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol
SMILESCP(C)(=O)/C=C/[C@H]1OCCC1O
InChIInChI=1S/C8H15O3P/c1-12(2,10)6-4-8-7(9)3-5-11-8/h4,6-9H,3,5H2,1-2H3/b6-4+/t7?,8-/m1/s1
InChIKeyVGLCGNBQOWIPOA-AMWSCBTISA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol?
The IUPAC name of (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol (CID 174081226) is (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol.
What is the SMILES notation for (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol?
The canonical SMILES for (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol is CP(C)(=O)/C=C/[C@H]1OCCC1O.
What is the InChIKey of (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol?
The InChIKey is VGLCGNBQOWIPOA-AMWSCBTISA-N. The full InChI is InChI=1S/C8H15O3P/c1-12(2,10)6-4-8-7(9)3-5-11-8/h4,6-9H,3,5H2,1-2H3/b6-4+/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol?
(2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol has a molecular weight of 190.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-dimethylphosphorylethenyl]oxolan-3-ol is sourced from PubChem (CID 174081226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).