2-methoxybutoxyphosphane

C5H13O2P — CID 89011772

IUPAC2-methoxybutoxyphosphane
SMILESCCC(COP)OC
InChIInChI=1S/C5H13O2P/c1-3-5(6-2)4-7-8/h5H,3-4,8H2,1-2H3
InChIKeyGDGFVNBBVHLSCW-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.22
Rot. Bonds4

About 2-methoxybutoxyphosphane

2-methoxybutoxyphosphane (PubChem CID 89011772) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is 2-methoxybutoxyphosphane.

Molecular Properties

Compound Name2-methoxybutoxyphosphane
PubChem CID89011772
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Name2-methoxybutoxyphosphane
SMILESCCC(COP)OC
InChIInChI=1S/C5H13O2P/c1-3-5(6-2)4-7-8/h5H,3-4,8H2,1-2H3
InChIKeyGDGFVNBBVHLSCW-UHFFFAOYSA-N
XLogP1.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.22
H-Bond Donors ≤ 50
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 2-methoxybutoxyphosphane?
The IUPAC name of 2-methoxybutoxyphosphane (CID 89011772) is 2-methoxybutoxyphosphane.
What is the SMILES notation for 2-methoxybutoxyphosphane?
The canonical SMILES for 2-methoxybutoxyphosphane is CCC(COP)OC.
What is the InChIKey of 2-methoxybutoxyphosphane?
The InChIKey is GDGFVNBBVHLSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-3-5(6-2)4-7-8/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-methoxybutoxyphosphane?
2-methoxybutoxyphosphane has a molecular weight of 136.13 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybutoxyphosphane is sourced from PubChem (CID 89011772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).