4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol

C6H11O4P — CID 174991917

IUPAC4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol
SMILESCC(O)=CCP1(=O)OCCO1
InChIInChI=1S/C6H11O4P/c1-6(7)2-5-11(8)9-3-4-10-11/h2,7H,3-5H2,1H3
InChIKeyNAEYJLKIPLEJRN-UHFFFAOYSA-N
MW178.12 g/mol
LogP1.69
Rot. Bonds2

About 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol

4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol (PubChem CID 174991917) has the molecular formula C6H11O4P and a molecular weight of 178.12 g/mol. Its IUPAC name is 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol.

Molecular Properties

Compound Name4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol
PubChem CID174991917
Molecular FormulaC6H11O4P
Molecular Weight178.12 g/mol
Exact Mass178.04
IUPAC Name4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol
SMILESCC(O)=CCP1(=O)OCCO1
InChIInChI=1S/C6H11O4P/c1-6(7)2-5-11(8)9-3-4-10-11/h2,7H,3-5H2,1H3
InChIKeyNAEYJLKIPLEJRN-UHFFFAOYSA-N
XLogP1.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol?
The IUPAC name of 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol (CID 174991917) is 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol.
What is the SMILES notation for 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol?
The canonical SMILES for 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol is CC(O)=CCP1(=O)OCCO1.
What is the InChIKey of 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol?
The InChIKey is NAEYJLKIPLEJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O4P/c1-6(7)2-5-11(8)9-3-4-10-11/h2,7H,3-5H2,1H3.
What are the key properties of 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol?
4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol has a molecular weight of 178.12 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)but-2-en-2-ol is sourced from PubChem (CID 174991917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).