3-methylbutylphosphonous acid

C5H13O2P — CID 23313254

IUPAC3-methylbutylphosphonous acid
SMILESCC(C)CCP(O)O
InChIInChI=1S/C5H13O2P/c1-5(2)3-4-8(6)7/h5-7H,3-4H2,1-2H3
InChIKeyYZWRPLIOSGAZDG-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.33
Rot. Bonds3

About 3-methylbutylphosphonous acid

3-methylbutylphosphonous acid (PubChem CID 23313254) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is 3-methylbutylphosphonous acid.

Molecular Properties

Compound Name3-methylbutylphosphonous acid
PubChem CID23313254
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Name3-methylbutylphosphonous acid
SMILESCC(C)CCP(O)O
InChIInChI=1S/C5H13O2P/c1-5(2)3-4-8(6)7/h5-7H,3-4H2,1-2H3
InChIKeyYZWRPLIOSGAZDG-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutylphosphonous acid?
The IUPAC name of 3-methylbutylphosphonous acid (CID 23313254) is 3-methylbutylphosphonous acid.
What is the SMILES notation for 3-methylbutylphosphonous acid?
The canonical SMILES for 3-methylbutylphosphonous acid is CC(C)CCP(O)O.
What is the InChIKey of 3-methylbutylphosphonous acid?
The InChIKey is YZWRPLIOSGAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-5(2)3-4-8(6)7/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-methylbutylphosphonous acid?
3-methylbutylphosphonous acid has a molecular weight of 136.13 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutylphosphonous acid is sourced from PubChem (CID 23313254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).