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'}

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

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

Launch Full Analysis

Related Compounds

azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine
CID 130404363
N,N,N',N'-tetrakis[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methyl]oxamide
CID 164745959
2-(3-methylbuta-1,2-dienyl)-1,3,2λ5-dioxaphospholane 2-oxide
CID 12841071
2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
CID 118422686
(E)-4-aminobut-2-en-2-ol
CID 163890736
2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide
CID 141410723
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
2-ethenyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 23343607
(6-hydroxy-1-phosphonohept-5-enyl)phosphonic acid
CID 87165714
(Z)-hex-2-ene-2,5-diol
CID 12871463
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
CID 18981617
acetic acid;azanide;ethane-1,2-diol;manganese;hydrofluoride
CID 174873923

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).