4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane

C15H27BO2 — CID 18970935

IUPAC4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
SMILESCB1OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C15H27BO2/c1-16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h12-15H,2-11H2,1H3
InChIKeyKGZVYGQSIOPUPF-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.05
Rot. Bonds2

About 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane

4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane (PubChem CID 18970935) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
PubChem CID18970935
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
SMILESCB1OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C15H27BO2/c1-16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h12-15H,2-11H2,1H3
InChIKeyKGZVYGQSIOPUPF-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.05
H-Bond Donors ≤ 50
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 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane?
The IUPAC name of 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane (CID 18970935) is 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane is CB1OC(C2CCCCC2)C(C2CCCCC2)O1.
What is the InChIKey of 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane?
The InChIKey is KGZVYGQSIOPUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO2/c1-16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h12-15H,2-11H2,1H3.
What are the key properties of 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane?
4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane is sourced from PubChem (CID 18970935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).