4,4-dimethyl-2-propyl-1,3,2-dioxaborolane

C7H15BO2 — CID 123974753

IUPAC4,4-dimethyl-2-propyl-1,3,2-dioxaborolane
SMILESCCCB1OCC(C)(C)O1
InChIInChI=1S/C7H15BO2/c1-4-5-8-9-6-7(2,3)10-8/h4-6H2,1-3H3
InChIKeyRFTYYOOUZYCZIP-UHFFFAOYSA-N
MW142.01 g/mol
LogP1.71
Rot. Bonds2

About 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane

4,4-dimethyl-2-propyl-1,3,2-dioxaborolane (PubChem CID 123974753) has the molecular formula C7H15BO2 and a molecular weight of 142.01 g/mol. Its IUPAC name is 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4-dimethyl-2-propyl-1,3,2-dioxaborolane
PubChem CID123974753
Molecular FormulaC7H15BO2
Molecular Weight142.01 g/mol
Exact Mass142.12
IUPAC Name4,4-dimethyl-2-propyl-1,3,2-dioxaborolane
SMILESCCCB1OCC(C)(C)O1
InChIInChI=1S/C7H15BO2/c1-4-5-8-9-6-7(2,3)10-8/h4-6H2,1-3H3
InChIKeyRFTYYOOUZYCZIP-UHFFFAOYSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.01
LogP ≤ 51.71
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 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane?
The IUPAC name of 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane (CID 123974753) is 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane is CCCB1OCC(C)(C)O1.
What is the InChIKey of 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane?
The InChIKey is RFTYYOOUZYCZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2/c1-4-5-8-9-6-7(2,3)10-8/h4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane?
4,4-dimethyl-2-propyl-1,3,2-dioxaborolane has a molecular weight of 142.01 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propyl-1,3,2-dioxaborolane is sourced from PubChem (CID 123974753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).