heptan-2-ylphosphanium

C7H18P+ — CID 22349024

IUPACheptan-2-ylphosphanium
SMILESCCCCCC(C)[PH3+]
InChIInChI=1S/C7H17P/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1
InChIKeyRNWFQZVXWOOAHL-UHFFFAOYSA-O
MW133.20 g/mol
LogP2.56
Rot. Bonds4

About heptan-2-ylphosphanium

heptan-2-ylphosphanium (PubChem CID 22349024) has the molecular formula C7H18P+ and a molecular weight of 133.20 g/mol. Its IUPAC name is heptan-2-ylphosphanium.

Molecular Properties

Compound Nameheptan-2-ylphosphanium
PubChem CID22349024
Molecular FormulaC7H18P+
Molecular Weight133.20 g/mol
Exact Mass133.11
IUPAC Nameheptan-2-ylphosphanium
SMILESCCCCCC(C)[PH3+]
InChIInChI=1S/C7H17P/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1
InChIKeyRNWFQZVXWOOAHL-UHFFFAOYSA-O
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptan-2-ylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11,12-dimethyltricosane
CID 173430605
6-methyloctacosane
CID 22223942
mercury;2-methylheptane
CID 175108338
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
2-methylpentaoctacontane
CID 90745672
6-methylheptacosane
CID 22223776
bis(2-methylheptane);propane
CID 158714851
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
2-methyldecane
CID 23415
15-methylhexatriacontane
CID 86002594

Frequently Asked Questions

What is the IUPAC name of heptan-2-ylphosphanium?
The IUPAC name of heptan-2-ylphosphanium (CID 22349024) is heptan-2-ylphosphanium.
What is the SMILES notation for heptan-2-ylphosphanium?
The canonical SMILES for heptan-2-ylphosphanium is CCCCCC(C)[PH3+].
What is the InChIKey of heptan-2-ylphosphanium?
The InChIKey is RNWFQZVXWOOAHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17P/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1.
What are the key properties of heptan-2-ylphosphanium?
heptan-2-ylphosphanium has a molecular weight of 133.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-ylphosphanium is sourced from PubChem (CID 22349024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).