2-methylpropylphosphonous acid

C4H11O2P — CID 19090922

IUPAC2-methylpropylphosphonous acid
SMILESCC(C)CP(O)O
InChIInChI=1S/C4H11O2P/c1-4(2)3-7(5)6/h4-6H,3H2,1-2H3
InChIKeyRVRQOWIRCBVQJI-UHFFFAOYSA-N
MW122.10 g/mol
LogP0.94
Rot. Bonds2

About 2-methylpropylphosphonous acid

2-methylpropylphosphonous acid (PubChem CID 19090922) has the molecular formula C4H11O2P and a molecular weight of 122.10 g/mol. Its IUPAC name is 2-methylpropylphosphonous acid.

Molecular Properties

Compound Name2-methylpropylphosphonous acid
PubChem CID19090922
Molecular FormulaC4H11O2P
Molecular Weight122.10 g/mol
Exact Mass122.05
IUPAC Name2-methylpropylphosphonous acid
SMILESCC(C)CP(O)O
InChIInChI=1S/C4H11O2P/c1-4(2)3-7(5)6/h4-6H,3H2,1-2H3
InChIKeyRVRQOWIRCBVQJI-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

P-(2-Methylpropyl)phosphonic acid
CID 5149409
3-Methylbutylphosphonic acid
CID 14122812
Butyl-phosphonothioic acid
CID 20262261
Butylphosphonous acid
CID 13783034
Monoisobutylphosphinic acid
CID 14388629
Butylphosphorous acid
CID 21448879
Diisobutylphosphorous acid
CID 57009988
t-Butylphosphorous acid
CID 57170449
Butylthiophosphorous acid
CID 87060446
Neopentylphosphorous acid
CID 87161988
Methyl(2-methylpropyl)phosphinic acid
CID 22446925
Aminoisobutylphosphonous acid
CID 129812025

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylphosphonous acid?
The IUPAC name of 2-methylpropylphosphonous acid (CID 19090922) is 2-methylpropylphosphonous acid.
What is the SMILES notation for 2-methylpropylphosphonous acid?
The canonical SMILES for 2-methylpropylphosphonous acid is CC(C)CP(O)O.
What is the InChIKey of 2-methylpropylphosphonous acid?
The InChIKey is RVRQOWIRCBVQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2P/c1-4(2)3-7(5)6/h4-6H,3H2,1-2H3.
What are the key properties of 2-methylpropylphosphonous acid?
2-methylpropylphosphonous acid has a molecular weight of 122.10 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylphosphonous acid is sourced from PubChem (CID 19090922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).