cyclohexyl(trimethyl)phosphanium

C9H20P+ — CID 18355932

IUPACcyclohexyl(trimethyl)phosphanium
SMILESC[P+](C)(C)C1CCCCC1
InChIInChI=1S/C9H20P/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3/q+1
InChIKeyACZWLJHXYDFFOW-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.23
Rot. Bonds1

About cyclohexyl(trimethyl)phosphanium

cyclohexyl(trimethyl)phosphanium (PubChem CID 18355932) has the molecular formula C9H20P+ and a molecular weight of 159.23 g/mol. Its IUPAC name is cyclohexyl(trimethyl)phosphanium.

Molecular Properties

Compound Namecyclohexyl(trimethyl)phosphanium
PubChem CID18355932
Molecular FormulaC9H20P+
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namecyclohexyl(trimethyl)phosphanium
SMILESC[P+](C)(C)C1CCCCC1
InChIInChI=1S/C9H20P/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3/q+1
InChIKeyACZWLJHXYDFFOW-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(trimethyl)phosphanium?
The IUPAC name of cyclohexyl(trimethyl)phosphanium (CID 18355932) is cyclohexyl(trimethyl)phosphanium.
What is the SMILES notation for cyclohexyl(trimethyl)phosphanium?
The canonical SMILES for cyclohexyl(trimethyl)phosphanium is C[P+](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl(trimethyl)phosphanium?
The InChIKey is ACZWLJHXYDFFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20P/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3/q+1.
What are the key properties of cyclohexyl(trimethyl)phosphanium?
cyclohexyl(trimethyl)phosphanium has a molecular weight of 159.23 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethyl)phosphanium is sourced from PubChem (CID 18355932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).