butoxy-methyl-oxophosphanium

C5H12O2P+ — CID 10877172

IUPACbutoxy-methyl-oxophosphanium
SMILESCCCCO[P+](C)=O
InChIInChI=1S/C5H12O2P/c1-3-4-5-7-8(2)6/h3-5H2,1-2H3/q+1
InChIKeyJUMDGYIOMFZJDX-UHFFFAOYSA-N
MW135.12 g/mol
LogP2.18
Rot. Bonds4

About butoxy-methyl-oxophosphanium

butoxy-methyl-oxophosphanium (PubChem CID 10877172) has the molecular formula C5H12O2P+ and a molecular weight of 135.12 g/mol. Its IUPAC name is butoxy-methyl-oxophosphanium.

Molecular Properties

Compound Namebutoxy-methyl-oxophosphanium
PubChem CID10877172
Molecular FormulaC5H12O2P+
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Namebutoxy-methyl-oxophosphanium
SMILESCCCCO[P+](C)=O
InChIInChI=1S/C5H12O2P/c1-3-4-5-7-8(2)6/h3-5H2,1-2H3/q+1
InChIKeyJUMDGYIOMFZJDX-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-methyl-oxophosphanium?
The IUPAC name of butoxy-methyl-oxophosphanium (CID 10877172) is butoxy-methyl-oxophosphanium.
What is the SMILES notation for butoxy-methyl-oxophosphanium?
The canonical SMILES for butoxy-methyl-oxophosphanium is CCCCO[P+](C)=O.
What is the InChIKey of butoxy-methyl-oxophosphanium?
The InChIKey is JUMDGYIOMFZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2P/c1-3-4-5-7-8(2)6/h3-5H2,1-2H3/q+1.
What are the key properties of butoxy-methyl-oxophosphanium?
butoxy-methyl-oxophosphanium has a molecular weight of 135.12 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-methyl-oxophosphanium is sourced from PubChem (CID 10877172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).