CAS 230299-17-9|Bis[(-)-pinanediolato]diboron|(1R,2S,8R)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan...

General Information

Structure

Molecular Formula

C₂₀H₃₂B₂O₄

Molecular Mass

358.08768

Exact Mass

358.2486703

Charge

InChI

InChI=1S/C20H32B2O4/c1-17(2)11-7-13(17)19(5)15(9-11)23-21(25-19)22-24-16-10-12-8-14(18(12,3)4)20(16,6)26-22/h11-16H,7-10H2,1-6H3/t11-,12+,13-,14+,15?,16?,19-,20-/m0/s1

InChIKey

VNEZFUGEQURPEN-NZBRFDJOSA-N

Canonic Smiles

C[C@@]12OB(OC1C[C@H]1C[C@@H]2C1(C)C)B1OC2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C

Isomeric Smiles

O1B(B2O[C@@]3(C(O2)C[C@@H]2C([C@H]3C2)(C)C)C)OC2[C@@]1([C@H]1C[C@@H](C2)C1(C)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.4798

LogD (pH = 7.4)

6.4798

Log P

6.4798

Molar Refractivity

88.9742

Polarizability

39.93023

Polar Surface Area

36.92

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Bis[(-)-pinanediolato]diboron

IUPAC name

(1R,2S,8R)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane

IUPAC Traditional name

(1R,2S,8R)-2,9,9-trimethyl-4-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties