7-methyloctan-4-ylphosphanium

C9H22P+ — CID 22349017

IUPAC7-methyloctan-4-ylphosphanium
SMILESCCCC([PH3+])CCC(C)C
InChIInChI=1S/C9H21P/c1-4-5-9(10)7-6-8(2)3/h8-9H,4-7,10H2,1-3H3/p+1
InChIKeyGMYKTPGBTRNOQJ-UHFFFAOYSA-O
MW161.25 g/mol
LogP3.20
Rot. Bonds5

About 7-methyloctan-4-ylphosphanium

7-methyloctan-4-ylphosphanium (PubChem CID 22349017) has the molecular formula C9H22P+ and a molecular weight of 161.25 g/mol. Its IUPAC name is 7-methyloctan-4-ylphosphanium.

Molecular Properties

Compound Name7-methyloctan-4-ylphosphanium
PubChem CID22349017
Molecular FormulaC9H22P+
Molecular Weight161.25 g/mol
Exact Mass161.15
IUPAC Name7-methyloctan-4-ylphosphanium
SMILESCCCC([PH3+])CCC(C)C
InChIInChI=1S/C9H21P/c1-4-5-9(10)7-6-8(2)3/h8-9H,4-7,10H2,1-3H3/p+1
InChIKeyGMYKTPGBTRNOQJ-UHFFFAOYSA-O
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethyl-5-propylnonane
CID 57014492
2-methylpentane
CID 7892
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
(5R)-2-methyl-5-propylnonane
CID 162842430
ethane;2-methyl-5-propylnonane
CID 171073854
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
ethane;2-methylpentane
CID 143713716
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
azane;2-methylpentane
CID 18347292
2-methyl-5-propyltridecane
CID 123255718
methane;2-methylpentane;propane
CID 161026516

Frequently Asked Questions

What is the IUPAC name of 7-methyloctan-4-ylphosphanium?
The IUPAC name of 7-methyloctan-4-ylphosphanium (CID 22349017) is 7-methyloctan-4-ylphosphanium.
What is the SMILES notation for 7-methyloctan-4-ylphosphanium?
The canonical SMILES for 7-methyloctan-4-ylphosphanium is CCCC([PH3+])CCC(C)C.
What is the InChIKey of 7-methyloctan-4-ylphosphanium?
The InChIKey is GMYKTPGBTRNOQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21P/c1-4-5-9(10)7-6-8(2)3/h8-9H,4-7,10H2,1-3H3/p+1.
What are the key properties of 7-methyloctan-4-ylphosphanium?
7-methyloctan-4-ylphosphanium has a molecular weight of 161.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloctan-4-ylphosphanium is sourced from PubChem (CID 22349017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).