2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide

C7H12IO5P — CID 144952765

IUPAC2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESO=P1(O)OCCC(C2CCC(I)O2)O1
InChIInChI=1S/C7H12IO5P/c8-7-2-1-5(12-7)6-3-4-11-14(9,10)13-6/h5-7H,1-4H2,(H,9,10)
InChIKeyQNDSOXLYCVNZFO-UHFFFAOYSA-N
MW334.05 g/mol
LogP1.83
Rot. Bonds1

About 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide

2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 144952765) has the molecular formula C7H12IO5P and a molecular weight of 334.05 g/mol. Its IUPAC name is 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID144952765
Molecular FormulaC7H12IO5P
Molecular Weight334.05 g/mol
Exact Mass333.95
IUPAC Name2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESO=P1(O)OCCC(C2CCC(I)O2)O1
InChIInChI=1S/C7H12IO5P/c8-7-2-1-5(12-7)6-3-4-11-14(9,10)13-6/h5-7H,1-4H2,(H,9,10)
InChIKeyQNDSOXLYCVNZFO-UHFFFAOYSA-N
XLogP1.83
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.05
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626
2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide
CID 144952769
2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide
CID 142743133
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
CID 159109458
4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 58900627
4-ethynyl-2-hydroxy-1,2λ5-oxaphosphinane 2-oxide
CID 89445921
9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide
CID 88624800
2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
CID 172770499
(4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CID 154987852
1-[4-[4-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl)phenyl]phenyl]-3-phenylurea
CID 46931382

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide (CID 144952765) is 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide is O=P1(O)OCCC(C2CCC(I)O2)O1.
What is the InChIKey of 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is QNDSOXLYCVNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IO5P/c8-7-2-1-5(12-7)6-3-4-11-14(9,10)13-6/h5-7H,1-4H2,(H,9,10).
What are the key properties of 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide?
2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 334.05 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 144952765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).