3-methylbutoxy-oxo-pentylphosphanium

C10H22O2P+ — CID 18475050

IUPAC3-methylbutoxy-oxo-pentylphosphanium
SMILESCCCCC[P+](=O)OCCC(C)C
InChIInChI=1S/C10H22O2P/c1-4-5-6-9-13(11)12-8-7-10(2)3/h10H,4-9H2,1-3H3/q+1
InChIKeyNSLDBZGSTQMTJV-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.98
Rot. Bonds8

About 3-methylbutoxy-oxo-pentylphosphanium

3-methylbutoxy-oxo-pentylphosphanium (PubChem CID 18475050) has the molecular formula C10H22O2P+ and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methylbutoxy-oxo-pentylphosphanium.

Molecular Properties

Compound Name3-methylbutoxy-oxo-pentylphosphanium
PubChem CID18475050
Molecular FormulaC10H22O2P+
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name3-methylbutoxy-oxo-pentylphosphanium
SMILESCCCCC[P+](=O)OCCC(C)C
InChIInChI=1S/C10H22O2P/c1-4-5-6-9-13(11)12-8-7-10(2)3/h10H,4-9H2,1-3H3/q+1
InChIKeyNSLDBZGSTQMTJV-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.98
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 3-methylbutoxy-oxo-pentylphosphanium?
The IUPAC name of 3-methylbutoxy-oxo-pentylphosphanium (CID 18475050) is 3-methylbutoxy-oxo-pentylphosphanium.
What is the SMILES notation for 3-methylbutoxy-oxo-pentylphosphanium?
The canonical SMILES for 3-methylbutoxy-oxo-pentylphosphanium is CCCCC[P+](=O)OCCC(C)C.
What is the InChIKey of 3-methylbutoxy-oxo-pentylphosphanium?
The InChIKey is NSLDBZGSTQMTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2P/c1-4-5-6-9-13(11)12-8-7-10(2)3/h10H,4-9H2,1-3H3/q+1.
What are the key properties of 3-methylbutoxy-oxo-pentylphosphanium?
3-methylbutoxy-oxo-pentylphosphanium has a molecular weight of 205.26 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxy-oxo-pentylphosphanium is sourced from PubChem (CID 18475050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).