cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid

C15H27BO2 — CID 53445845

IUPACcyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid
SMILESCCCC1CCC(OB(O)C2=CCCCC2)CC1
InChIInChI=1S/C15H27BO2/c1-2-6-13-9-11-15(12-10-13)18-16(17)14-7-4-3-5-8-14/h7,13,15,17H,2-6,8-12H2,1H3
InChIKeyOGNIHQFHKBPKDW-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.88
Rot. Bonds5

About cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid

cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid (PubChem CID 53445845) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid.

Molecular Properties

Compound Namecyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid
PubChem CID53445845
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Namecyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid
SMILESCCCC1CCC(OB(O)C2=CCCCC2)CC1
InChIInChI=1S/C15H27BO2/c1-2-6-13-9-11-15(12-10-13)18-16(17)14-7-4-3-5-8-14/h7,13,15,17H,2-6,8-12H2,1H3
InChIKeyOGNIHQFHKBPKDW-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid?
The IUPAC name of cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid (CID 53445845) is cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid.
What is the SMILES notation for cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid?
The canonical SMILES for cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid is CCCC1CCC(OB(O)C2=CCCCC2)CC1.
What is the InChIKey of cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid?
The InChIKey is OGNIHQFHKBPKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO2/c1-2-6-13-9-11-15(12-10-13)18-16(17)14-7-4-3-5-8-14/h7,13,15,17H,2-6,8-12H2,1H3.
What are the key properties of cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid?
cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid has a molecular weight of 250.19 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(4-propylcyclohexyl)oxyborinic acid is sourced from PubChem (CID 53445845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).