CID 90210262

C13H29B2O4 — CID 90210262

IUPAC—
SMILESCB([B]OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H29B2O4/c1-10(2,16)12(5,6)18-14-15(9)19-13(7,8)11(3,4)17/h16-17H,1-9H3
InChIKeyFOSUJVQHGWRFOE-UHFFFAOYSA-N
MW270.99 g/mol
LogP1.86
Rot. Bonds7

About CID 90210262

CID 90210262 (PubChem CID 90210262) has the molecular formula C13H29B2O4 and a molecular weight of 270.99 g/mol.

Molecular Properties

Compound NameCID 90210262
PubChem CID90210262
Molecular FormulaC13H29B2O4
Molecular Weight270.99 g/mol
Exact Mass271.23
IUPAC Name—
SMILESCB([B]OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H29B2O4/c1-10(2,16)12(5,6)18-14-15(9)19-13(7,8)11(3,4)17/h16-17H,1-9H3
InChIKeyFOSUJVQHGWRFOE-UHFFFAOYSA-N
XLogP1.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.99
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pinacol boronate
CID 21941286
Boronopinacol
CID 141106835
Bis[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy]boranylformonitrile
CID 11357730
3-Dimethylboranyloxy-2,3-dimethylbutan-2-ol
CID 13527816
Butyl-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 20164398
CID 20773391
CID 20773391
(3-Hydroxy-2,3-dimethylbutan-2-yl)oxy-propan-2-ylborinic acid
CID 21922484
(3-Hydroxy-2,3-dimethylbutan-2-yl)oxy-methylborinic acid
CID 45382225
2,3-Dimethylbutane-2,3-diol;ethenylboronic acid
CID 53442856
Tert-butyl-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 56844450
(3-Hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methylpropyl)borinic acid
CID 56844451
CID 59190375
CID 59190375

Frequently Asked Questions

What is the IUPAC name of CID 90210262?
The IUPAC name of CID 90210262 (CID 90210262) is not available.
What is the SMILES notation for CID 90210262?
The canonical SMILES for CID 90210262 is CB([B]OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O.
What is the InChIKey of CID 90210262?
The InChIKey is FOSUJVQHGWRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29B2O4/c1-10(2,16)12(5,6)18-14-15(9)19-13(7,8)11(3,4)17/h16-17H,1-9H3.
What are the key properties of CID 90210262?
CID 90210262 has a molecular weight of 270.99 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90210262 is sourced from PubChem (CID 90210262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).