(2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol

C5H11O5P — CID 12795628

IUPAC(2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
SMILESCC1(CO)COP(=O)(O)OC1
InChIInChI=1S/C5H11O5P/c1-5(2-6)3-9-11(7,8)10-4-5/h6H,2-4H2,1H3,(H,7,8)
InChIKeyICRURQIAOKQAGP-UHFFFAOYSA-N
MW182.11 g/mol
LogP0.13
Rot. Bonds1

About (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol

(2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol (PubChem CID 12795628) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol.

Molecular Properties

Compound Name(2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
PubChem CID12795628
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Name(2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
SMILESCC1(CO)COP(=O)(O)OC1
InChIInChI=1S/C5H11O5P/c1-5(2-6)3-9-11(7,8)10-4-5/h6H,2-4H2,1H3,(H,7,8)
InChIKeyICRURQIAOKQAGP-UHFFFAOYSA-N
XLogP0.13
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide
CID 199942
2-Hydroxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinan-2-one
CID 285304
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-, 2-oxide
CID 371769
2,2-Dimethyl-1,3-propanediol phosphate
CID 21409654
2-Hydroxy-5,5-bis(hydroxymethyl)-1,3,2-dioxaphosphinane 2-oxide
CID 130124961
2-Ethoxy-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 271727
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphate
CID 18398370
2,2-Dimethylpropane-1,3-diol;phosphoric acid
CID 71323687
Fluoro-[[2-fluoro-5-(hydroxymethyl)-2-methoxy-1,3,2-dioxaphosphinan-2-ium-5-yl]methoxy]-oxophosphanium
CID 169581440
(2-Methoxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol
CID 12795632
3-Hydroxypropyl dimethyl phosphate
CID 14840641
2,2-Bis(hydroxymethyl)butyl dihydrogen phosphate
CID 18755950

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol?
The IUPAC name of (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol (CID 12795628) is (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol.
What is the SMILES notation for (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol?
The canonical SMILES for (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol is CC1(CO)COP(=O)(O)OC1.
What is the InChIKey of (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol?
The InChIKey is ICRURQIAOKQAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5P/c1-5(2-6)3-9-11(7,8)10-4-5/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol?
(2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol has a molecular weight of 182.11 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol is sourced from PubChem (CID 12795628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).