potassium tricyclohexylboranuide

C18H34BK — CID 23721388

IUPACpotassium tricyclohexylboranuide
SMILESC1CCC([BH-](C2CCCCC2)C2CCCCC2)CC1.[K+]
InChIInChI=1S/C18H34B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-19H,1-15H2;/q-1;+1
InChIKeyRHIBLQFPXYYSBY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.22
Rot. Bonds3

About potassium tricyclohexylboranuide

potassium tricyclohexylboranuide (PubChem CID 23721388) has the molecular formula C18H34BK and a molecular weight of 300.38 g/mol. Its IUPAC name is potassium tricyclohexylboranuide.

Molecular Properties

Compound Namepotassium tricyclohexylboranuide
PubChem CID23721388
Molecular FormulaC18H34BK
Molecular Weight300.38 g/mol
Exact Mass300.24
IUPAC Namepotassium tricyclohexylboranuide
SMILESC1CCC([BH-](C2CCCCC2)C2CCCCC2)CC1.[K+]
InChIInChI=1S/C18H34B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-19H,1-15H2;/q-1;+1
InChIKeyRHIBLQFPXYYSBY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium tricyclohexylboranuide?
The IUPAC name of potassium tricyclohexylboranuide (CID 23721388) is potassium tricyclohexylboranuide.
What is the SMILES notation for potassium tricyclohexylboranuide?
The canonical SMILES for potassium tricyclohexylboranuide is C1CCC([BH-](C2CCCCC2)C2CCCCC2)CC1.[K+].
What is the InChIKey of potassium tricyclohexylboranuide?
The InChIKey is RHIBLQFPXYYSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-19H,1-15H2;/q-1;+1.
What are the key properties of potassium tricyclohexylboranuide?
potassium tricyclohexylboranuide has a molecular weight of 300.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tricyclohexylboranuide is sourced from PubChem (CID 23721388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).