10-bromodecyl(tricyclohexyl)phosphanium

C28H53BrP+ — CID 137424115

IUPAC10-bromodecyl(tricyclohexyl)phosphanium
SMILESBrCCCCCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H53BrP/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h26-28H,1-25H2/q+1
InChIKeyJCDHWRGYRULORQ-UHFFFAOYSA-N
MW500.61 g/mol
LogP10.52
Rot. Bonds13

About 10-bromodecyl(tricyclohexyl)phosphanium

10-bromodecyl(tricyclohexyl)phosphanium (PubChem CID 137424115) has the molecular formula C28H53BrP+ and a molecular weight of 500.61 g/mol. Its IUPAC name is 10-bromodecyl(tricyclohexyl)phosphanium.

Molecular Properties

Compound Name10-bromodecyl(tricyclohexyl)phosphanium
PubChem CID137424115
Molecular FormulaC28H53BrP+
Molecular Weight500.61 g/mol
Exact Mass499.31
IUPAC Name10-bromodecyl(tricyclohexyl)phosphanium
SMILESBrCCCCCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H53BrP/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h26-28H,1-25H2/q+1
InChIKeyJCDHWRGYRULORQ-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-bromodecyl(tricyclohexyl)phosphanium?
The IUPAC name of 10-bromodecyl(tricyclohexyl)phosphanium (CID 137424115) is 10-bromodecyl(tricyclohexyl)phosphanium.
What is the SMILES notation for 10-bromodecyl(tricyclohexyl)phosphanium?
The canonical SMILES for 10-bromodecyl(tricyclohexyl)phosphanium is BrCCCCCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 10-bromodecyl(tricyclohexyl)phosphanium?
The InChIKey is JCDHWRGYRULORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53BrP/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h26-28H,1-25H2/q+1.
What are the key properties of 10-bromodecyl(tricyclohexyl)phosphanium?
10-bromodecyl(tricyclohexyl)phosphanium has a molecular weight of 500.61 g/mol, XLogP of 10.52, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromodecyl(tricyclohexyl)phosphanium is sourced from PubChem (CID 137424115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).