4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane

C10H21BO3 — CID 593838

IUPAC4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane
SMILESCCCC(C)OB1OC(C)CC(C)O1
InChIInChI=1S/C10H21BO3/c1-5-6-8(2)12-11-13-9(3)7-10(4)14-11/h8-10H,5-7H2,1-4H3
InChIKeyQBCKEOUKMGSGCF-UHFFFAOYSA-N
MW200.09 g/mol
LogP2.39
Rot. Bonds4

About 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane

4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane (PubChem CID 593838) has the molecular formula C10H21BO3 and a molecular weight of 200.09 g/mol. Its IUPAC name is 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane.

Molecular Properties

Compound Name4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane
PubChem CID593838
Molecular FormulaC10H21BO3
Molecular Weight200.09 g/mol
Exact Mass200.16
IUPAC Name4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane
SMILESCCCC(C)OB1OC(C)CC(C)O1
InChIInChI=1S/C10H21BO3/c1-5-6-8(2)12-11-13-9(3)7-10(4)14-11/h8-10H,5-7H2,1-4H3
InChIKeyQBCKEOUKMGSGCF-UHFFFAOYSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane?
The IUPAC name of 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane (CID 593838) is 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane.
What is the SMILES notation for 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane?
The canonical SMILES for 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane is CCCC(C)OB1OC(C)CC(C)O1.
What is the InChIKey of 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane?
The InChIKey is QBCKEOUKMGSGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO3/c1-5-6-8(2)12-11-13-9(3)7-10(4)14-11/h8-10H,5-7H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane?
4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane has a molecular weight of 200.09 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-pentan-2-yloxy-1,3,2-dioxaborinane is sourced from PubChem (CID 593838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).