cyclopropyl(nonyl)phosphane

C12H25P — CID 69425063

IUPACcyclopropyl(nonyl)phosphane
SMILESCCCCCCCCCPC1CC1
InChIInChI=1S/C12H25P/c1-2-3-4-5-6-7-8-11-13-12-9-10-12/h12-13H,2-11H2,1H3
InChIKeyHEJBDBWMNRLQID-UHFFFAOYSA-N
MW200.31 g/mol
LogP4.58
Rot. Bonds9

About cyclopropyl(nonyl)phosphane

cyclopropyl(nonyl)phosphane (PubChem CID 69425063) has the molecular formula C12H25P and a molecular weight of 200.31 g/mol. Its IUPAC name is cyclopropyl(nonyl)phosphane.

Molecular Properties

Compound Namecyclopropyl(nonyl)phosphane
PubChem CID69425063
Molecular FormulaC12H25P
Molecular Weight200.31 g/mol
Exact Mass200.17
IUPAC Namecyclopropyl(nonyl)phosphane
SMILESCCCCCCCCCPC1CC1
InChIInChI=1S/C12H25P/c1-2-3-4-5-6-7-8-11-13-12-9-10-12/h12-13H,2-11H2,1H3
InChIKeyHEJBDBWMNRLQID-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 54.58
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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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(nonyl)phosphane?
The IUPAC name of cyclopropyl(nonyl)phosphane (CID 69425063) is cyclopropyl(nonyl)phosphane.
What is the SMILES notation for cyclopropyl(nonyl)phosphane?
The canonical SMILES for cyclopropyl(nonyl)phosphane is CCCCCCCCCPC1CC1.
What is the InChIKey of cyclopropyl(nonyl)phosphane?
The InChIKey is HEJBDBWMNRLQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25P/c1-2-3-4-5-6-7-8-11-13-12-9-10-12/h12-13H,2-11H2,1H3.
What are the key properties of cyclopropyl(nonyl)phosphane?
cyclopropyl(nonyl)phosphane has a molecular weight of 200.31 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(nonyl)phosphane is sourced from PubChem (CID 69425063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).