4-methylpentoxy-oxo-propoxyphosphanium

C9H20O3P+ — CID 170366726

IUPAC4-methylpentoxy-oxo-propoxyphosphanium
SMILESCCCO[P+](=O)OCCCC(C)C
InChIInChI=1S/C9H20O3P/c1-4-7-11-13(10)12-8-5-6-9(2)3/h9H,4-8H2,1-3H3/q+1
InChIKeyKMPNDYRVOBHCTF-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.52
Rot. Bonds8

About 4-methylpentoxy-oxo-propoxyphosphanium

4-methylpentoxy-oxo-propoxyphosphanium (PubChem CID 170366726) has the molecular formula C9H20O3P+ and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-methylpentoxy-oxo-propoxyphosphanium.

Molecular Properties

Compound Name4-methylpentoxy-oxo-propoxyphosphanium
PubChem CID170366726
Molecular FormulaC9H20O3P+
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name4-methylpentoxy-oxo-propoxyphosphanium
SMILESCCCO[P+](=O)OCCCC(C)C
InChIInChI=1S/C9H20O3P/c1-4-7-11-13(10)12-8-5-6-9(2)3/h9H,4-8H2,1-3H3/q+1
InChIKeyKMPNDYRVOBHCTF-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 53471894
CID 53471894
10-O-(4-methylpentyl) 1-O-propyl decanedioate
CID 91736244
dioctoxy(oxo)phosphanium;zinc
CID 175522796
bis(3-methylpentoxy)-oxophosphanium
CID 174765578
propyl 10-methylundecanoate
CID 138489997
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874
propyl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121470462
bis(3-ethyldecoxy)-oxophosphanium
CID 175430698
bis(2-chloroethoxy)-oxophosphanium;chloroethane
CID 88520254
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
propyl 2-[methyl(4-methylpentoxycarbonyl)amino]propanoate
CID 91718694

Frequently Asked Questions

What is the IUPAC name of 4-methylpentoxy-oxo-propoxyphosphanium?
The IUPAC name of 4-methylpentoxy-oxo-propoxyphosphanium (CID 170366726) is 4-methylpentoxy-oxo-propoxyphosphanium.
What is the SMILES notation for 4-methylpentoxy-oxo-propoxyphosphanium?
The canonical SMILES for 4-methylpentoxy-oxo-propoxyphosphanium is CCCO[P+](=O)OCCCC(C)C.
What is the InChIKey of 4-methylpentoxy-oxo-propoxyphosphanium?
The InChIKey is KMPNDYRVOBHCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3P/c1-4-7-11-13(10)12-8-5-6-9(2)3/h9H,4-8H2,1-3H3/q+1.
What are the key properties of 4-methylpentoxy-oxo-propoxyphosphanium?
4-methylpentoxy-oxo-propoxyphosphanium has a molecular weight of 207.23 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentoxy-oxo-propoxyphosphanium is sourced from PubChem (CID 170366726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).