cycloheptyl(hexyl)phosphane

C13H27P — CID 69424850

IUPACcycloheptyl(hexyl)phosphane
SMILESCCCCCCPC1CCCCCC1
InChIInChI=1S/C13H27P/c1-2-3-4-9-12-14-13-10-7-5-6-8-11-13/h13-14H,2-12H2,1H3
InChIKeyLLMGEQBVUGGWDG-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.97
Rot. Bonds6

About cycloheptyl(hexyl)phosphane

cycloheptyl(hexyl)phosphane (PubChem CID 69424850) has the molecular formula C13H27P and a molecular weight of 214.33 g/mol. Its IUPAC name is cycloheptyl(hexyl)phosphane.

Molecular Properties

Compound Namecycloheptyl(hexyl)phosphane
PubChem CID69424850
Molecular FormulaC13H27P
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Namecycloheptyl(hexyl)phosphane
SMILESCCCCCCPC1CCCCCC1
InChIInChI=1S/C13H27P/c1-2-3-4-9-12-14-13-10-7-5-6-8-11-13/h13-14H,2-12H2,1H3
InChIKeyLLMGEQBVUGGWDG-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.97
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'}

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Related Compounds

cyclohexyl(dodecyl)phosphane
CID 69424863
cyclooctyl(nonyl)phosphane
CID 69422737
cyclohexyl(decyl)phosphane
CID 69427092
cyclopentyl(decyl)phosphane
CID 69425127
cyclopentyl(pentyl)phosphane;hydrochloride
CID 174737364
butyl(cyclohexyl)phosphane
CID 69424025
cyclobutyl(pentyl)phosphane;hydrochloride
CID 174737405
cyclopropyl(nonyl)phosphane
CID 69425063
cyclopropyl(hexyl)phosphane;hydrochloride
CID 174737397
cyclohexyl(pentylphosphanylmethyl)phosphane
CID 146513852
cyclopropane;icosane
CID 162221728
cyclopropane;octadecane
CID 174865519

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(hexyl)phosphane?
The IUPAC name of cycloheptyl(hexyl)phosphane (CID 69424850) is cycloheptyl(hexyl)phosphane.
What is the SMILES notation for cycloheptyl(hexyl)phosphane?
The canonical SMILES for cycloheptyl(hexyl)phosphane is CCCCCCPC1CCCCCC1.
What is the InChIKey of cycloheptyl(hexyl)phosphane?
The InChIKey is LLMGEQBVUGGWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27P/c1-2-3-4-9-12-14-13-10-7-5-6-8-11-13/h13-14H,2-12H2,1H3.
What are the key properties of cycloheptyl(hexyl)phosphane?
cycloheptyl(hexyl)phosphane has a molecular weight of 214.33 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(hexyl)phosphane is sourced from PubChem (CID 69424850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).