cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane

C24H43BO2 — CID 121234245

IUPACcyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane
SMILESCCCC1CCC(OB(OC2CCC(CCC)CC2)C2=CCCCC2)CC1
InChIInChI=1S/C24H43BO2/c1-3-8-20-12-16-23(17-13-20)26-25(22-10-6-5-7-11-22)27-24-18-14-21(9-4-2)15-19-24/h10,20-21,23-24H,3-9,11-19H2,1-2H3
InChIKeyIGMMKZFOOGUBMH-UHFFFAOYSA-N
MW374.42 g/mol
LogP7.27
Rot. Bonds9

About cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane

cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane (PubChem CID 121234245) has the molecular formula C24H43BO2 and a molecular weight of 374.42 g/mol. Its IUPAC name is cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane.

Molecular Properties

Compound Namecyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane
PubChem CID121234245
Molecular FormulaC24H43BO2
Molecular Weight374.42 g/mol
Exact Mass374.34
IUPAC Namecyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane
SMILESCCCC1CCC(OB(OC2CCC(CCC)CC2)C2=CCCCC2)CC1
InChIInChI=1S/C24H43BO2/c1-3-8-20-12-16-23(17-13-20)26-25(22-10-6-5-7-11-22)27-24-18-14-21(9-4-2)15-19-24/h10,20-21,23-24H,3-9,11-19H2,1-2H3
InChIKeyIGMMKZFOOGUBMH-UHFFFAOYSA-N
XLogP7.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane?
The IUPAC name of cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane (CID 121234245) is cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane.
What is the SMILES notation for cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane?
The canonical SMILES for cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane is CCCC1CCC(OB(OC2CCC(CCC)CC2)C2=CCCCC2)CC1.
What is the InChIKey of cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane?
The InChIKey is IGMMKZFOOGUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43BO2/c1-3-8-20-12-16-23(17-13-20)26-25(22-10-6-5-7-11-22)27-24-18-14-21(9-4-2)15-19-24/h10,20-21,23-24H,3-9,11-19H2,1-2H3.
What are the key properties of cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane?
cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane has a molecular weight of 374.42 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-bis[(4-propylcyclohexyl)oxy]borane is sourced from PubChem (CID 121234245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).