methyl(oxolan-2-ylmethyl)phosphinic acid

C6H13O3P — CID 126657599

IUPACmethyl(oxolan-2-ylmethyl)phosphinic acid
SMILESCP(=O)(O)CC1CCCO1
InChIInChI=1S/C6H13O3P/c1-10(7,8)5-6-3-2-4-9-6/h6H,2-5H2,1H3,(H,7,8)
InChIKeyMIOPXMUYHSNXON-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.07
Rot. Bonds2

About methyl(oxolan-2-ylmethyl)phosphinic acid

methyl(oxolan-2-ylmethyl)phosphinic acid (PubChem CID 126657599) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is methyl(oxolan-2-ylmethyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(oxolan-2-ylmethyl)phosphinic acid
PubChem CID126657599
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Namemethyl(oxolan-2-ylmethyl)phosphinic acid
SMILESCP(=O)(O)CC1CCCO1
InChIInChI=1S/C6H13O3P/c1-10(7,8)5-6-3-2-4-9-6/h6H,2-5H2,1H3,(H,7,8)
InChIKeyMIOPXMUYHSNXON-UHFFFAOYSA-N
XLogP1.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
(2R)-2-ethyloxolane
CID 641529
azane;2-ethyloxolane
CID 174465001
oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
methyl-oxo-(oxolan-2-ylmethoxy)phosphanium
CID 59116285
calcium;hydride;oxolan-2-ylmethanol
CID 173198677

Frequently Asked Questions

What is the IUPAC name of methyl(oxolan-2-ylmethyl)phosphinic acid?
The IUPAC name of methyl(oxolan-2-ylmethyl)phosphinic acid (CID 126657599) is methyl(oxolan-2-ylmethyl)phosphinic acid.
What is the SMILES notation for methyl(oxolan-2-ylmethyl)phosphinic acid?
The canonical SMILES for methyl(oxolan-2-ylmethyl)phosphinic acid is CP(=O)(O)CC1CCCO1.
What is the InChIKey of methyl(oxolan-2-ylmethyl)phosphinic acid?
The InChIKey is MIOPXMUYHSNXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-10(7,8)5-6-3-2-4-9-6/h6H,2-5H2,1H3,(H,7,8).
What are the key properties of methyl(oxolan-2-ylmethyl)phosphinic acid?
methyl(oxolan-2-ylmethyl)phosphinic acid has a molecular weight of 164.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(oxolan-2-ylmethyl)phosphinic acid is sourced from PubChem (CID 126657599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).