Pinacolborane

C6H12BO2 — CID 6364989

IUPAC—
SMILESCC1(C)O[B]OC1(C)C
InChIInChI=1S/C6H12BO2/c1-5(2)6(3,4)9-7-8-5/h1-4H3
InChIKeyLZPWAYBEOJRFAX-UHFFFAOYSA-N
MW126.97 g/mol
LogP1.12
Rot. Bonds

About Pinacolborane

Pinacolborane (PubChem CID 6364989) has the molecular formula C6H12BO2 and a molecular weight of 126.97 g/mol.

Molecular Properties

Compound NamePinacolborane
PubChem CID6364989
Molecular FormulaC6H12BO2
Molecular Weight126.97 g/mol
Exact Mass127.09
IUPAC Name—
SMILESCC1(C)O[B]OC1(C)C
InChIInChI=1S/C6H12BO2/c1-5(2)6(3,4)9-7-8-5/h1-4H3
InChIKeyLZPWAYBEOJRFAX-UHFFFAOYSA-N
XLogP1.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.97
LogP ≤ 51.12
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-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
2-(Iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10901594
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10975759
2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane
CID 11759390
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
4,4,5,5-Tetramethyl-2-(methyl-d3)-1,3,2-dioxaborolane
CID 140694586
2-Fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416295
4,4,5,5-Tetramethyl[1,3,2]dioxaborolane
CID 2734768

Frequently Asked Questions

What is the IUPAC name of Pinacolborane?
The IUPAC name of Pinacolborane (CID 6364989) is not available.
What is the SMILES notation for Pinacolborane?
The canonical SMILES for Pinacolborane is CC1(C)O[B]OC1(C)C.
What is the InChIKey of Pinacolborane?
The InChIKey is LZPWAYBEOJRFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BO2/c1-5(2)6(3,4)9-7-8-5/h1-4H3.
What are the key properties of Pinacolborane?
Pinacolborane has a molecular weight of 126.97 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Pinacolborane is sourced from PubChem (CID 6364989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).