4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane

C9H19BO2 — CID 10103569

IUPAC4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane
SMILESCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H2,1-5H3
InChIKeyBTSWCGATJFXUHR-UHFFFAOYSA-N
MW170.06 g/mol
LogP2.49
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane (PubChem CID 10103569) has the molecular formula C9H19BO2 and a molecular weight of 170.06 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane
PubChem CID10103569
Molecular FormulaC9H19BO2
Molecular Weight170.06 g/mol
Exact Mass170.15
IUPAC Name4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane
SMILESCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H2,1-5H3
InChIKeyBTSWCGATJFXUHR-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.06
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Boric acid, pinacol ester
CID 368290
2-(3,3-Dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989
2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
Cyclohexylboronic acid, pinacol ester
CID 3668596
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 5017741
2-(Iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10901594
2-(Hex-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10987478
4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
2-(3,3-Dimethyl-1-butyn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11830626
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
2-(2,2-Dimethylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66633769
2-[2-(Tert-butoxy)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101365439

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane (CID 10103569) is 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane is CCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane?
The InChIKey is BTSWCGATJFXUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane has a molecular weight of 170.06 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane is sourced from PubChem (CID 10103569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).