[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid

C8H17O5P — CID 21029752

IUPAC[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
SMILESCOCC1OC(C)CC1OP(C)(=O)O
InChIInChI=1S/C8H17O5P/c1-6-4-7(13-14(3,9)10)8(12-6)5-11-2/h6-8H,4-5H2,1-3H3,(H,9,10)
InChIKeyCIVRNRDIBOAWGZ-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.01
Rot. Bonds4

About [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid

[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid (PubChem CID 21029752) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
PubChem CID21029752
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
SMILESCOCC1OC(C)CC1OP(C)(=O)O
InChIInChI=1S/C8H17O5P/c1-6-4-7(13-14(3,9)10)8(12-6)5-11-2/h6-8H,4-5H2,1-3H3,(H,9,10)
InChIKeyCIVRNRDIBOAWGZ-UHFFFAOYSA-N
XLogP1.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 118490859
CID 166590049
CID 166590049
3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
CID 170523973
CID 90304851
CID 90304851
(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 135224246
hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane
CID 58592407
[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 59137937
[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid
CID 161335598
[(2R,5S)-2-[[butoxy(hydroxy)phosphoryl]oxymethyl]-5-methyloxolan-3-yl] butyl hydrogen phosphate
CID 163761070
CID 147040657
CID 147040657
CID 58581223
CID 58581223
[(2R,3S,5S)-3-[[(2R,3S,5S)-3-[ethoxy(hydroxy)phosphoryl]oxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-methyloxolan-2-yl]methoxy-propan-2-ylphosphinic acid
CID 157280642

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid?
The IUPAC name of [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid (CID 21029752) is [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid.
What is the SMILES notation for [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid?
The canonical SMILES for [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid is COCC1OC(C)CC1OP(C)(=O)O.
What is the InChIKey of [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid?
The InChIKey is CIVRNRDIBOAWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-6-4-7(13-14(3,9)10)8(12-6)5-11-2/h6-8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid?
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid has a molecular weight of 224.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid is sourced from PubChem (CID 21029752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).