cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid

C11H23O3P — CID 130318479

IUPACcyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid
SMILESCC(C)(C)OCP(=O)(O)CC1CCCC1
InChIInChI=1S/C11H23O3P/c1-11(2,3)14-9-15(12,13)8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyNLEVLWLJUFOKOJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.22
Rot. Bonds4

About cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid

cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid (PubChem CID 130318479) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid.

Molecular Properties

Compound Namecyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid
PubChem CID130318479
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Namecyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid
SMILESCC(C)(C)OCP(=O)(O)CC1CCCC1
InChIInChI=1S/C11H23O3P/c1-11(2,3)14-9-15(12,13)8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyNLEVLWLJUFOKOJ-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.22
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

cyclohexylmethylphosphonic acid;hydrate
CID 70153007
potassium;cyclohexylmethylphosphonic acid;hydride
CID 173417626
butyl(2-cyclopentylethyl)phosphinic acid
CID 134348808
[1,1-diethoxyethyl(ethoxy)phosphoryl]methylcyclohexane
CID 129364277
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666
2,2-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]propan-1-one
CID 139428026
(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol
CID 59011201
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 56980867
(cyclohexylmethylamino)phosphonic acid
CID 166772294
cyclohexylmethyl dihydrogen phosphate
CID 14982025
2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590816

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid?
The IUPAC name of cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid (CID 130318479) is cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid.
What is the SMILES notation for cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid?
The canonical SMILES for cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid is CC(C)(C)OCP(=O)(O)CC1CCCC1.
What is the InChIKey of cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid?
The InChIKey is NLEVLWLJUFOKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-11(2,3)14-9-15(12,13)8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid?
cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid has a molecular weight of 234.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl-[(2-methylpropan-2-yl)oxymethyl]phosphinic acid is sourced from PubChem (CID 130318479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).