2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide

C9H17O4P — CID 144952769

IUPAC2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide
SMILESCC1CCC(C2CCCP(=O)(O)O2)O1
InChIInChI=1S/C9H17O4P/c1-7-4-5-8(12-7)9-3-2-6-14(10,11)13-9/h7-9H,2-6H2,1H3,(H,10,11)
InChIKeyILVIMUWCSATKPZ-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.92
Rot. Bonds1

About 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide

2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide (PubChem CID 144952769) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide
PubChem CID144952769
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide
SMILESCC1CCC(C2CCCP(=O)(O)O2)O1
InChIInChI=1S/C9H17O4P/c1-7-4-5-8(12-7)9-3-2-6-14(10,11)13-9/h7-9H,2-6H2,1H3,(H,10,11)
InChIKeyILVIMUWCSATKPZ-UHFFFAOYSA-N
XLogP1.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
CID 159109458
(2S)-2,5-dimethyloxolane
CID 118613003
2,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 58839644
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 10997278
2-fluoro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole 2-oxide
CID 163692288
3-methyl-2-oxabicyclo[4.1.0]heptane
CID 145003683
(2R,3S,6R)-6-methyloxane-2,3-diol
CID 101435128
2-[5-(5-methyloxolan-2-yl)oxolan-2-yl]ethanamine
CID 130585766
2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 144952765
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide?
The IUPAC name of 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide (CID 144952769) is 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide.
What is the SMILES notation for 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide?
The canonical SMILES for 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide is CC1CCC(C2CCCP(=O)(O)O2)O1.
What is the InChIKey of 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide?
The InChIKey is ILVIMUWCSATKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-7-4-5-8(12-7)9-3-2-6-14(10,11)13-9/h7-9H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide?
2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide has a molecular weight of 220.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(5-methyloxolan-2-yl)-1,2λ5-oxaphosphinane 2-oxide is sourced from PubChem (CID 144952769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).