boric acid;3-methoxy-2,3-dimethylbutan-2-ol

C7H19BO5 — CID 87096498

IUPACboric acid;3-methoxy-2,3-dimethylbutan-2-ol
SMILESCOC(C)(C)C(C)(C)O.OB(O)O
InChIInChI=1S/C7H16O2.BH3O3/c1-6(2,8)7(3,4)9-5;2-1(3)4/h8H,1-5H3;2-4H
InChIKeyWWILZZWHWPSZRF-UHFFFAOYSA-N
MW194.04 g/mol
LogP-0.87
Rot. Bonds2

About boric acid;3-methoxy-2,3-dimethylbutan-2-ol

boric acid;3-methoxy-2,3-dimethylbutan-2-ol (PubChem CID 87096498) has the molecular formula C7H19BO5 and a molecular weight of 194.04 g/mol. Its IUPAC name is boric acid;3-methoxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Nameboric acid;3-methoxy-2,3-dimethylbutan-2-ol
PubChem CID87096498
Molecular FormulaC7H19BO5
Molecular Weight194.04 g/mol
Exact Mass194.13
IUPAC Nameboric acid;3-methoxy-2,3-dimethylbutan-2-ol
SMILESCOC(C)(C)C(C)(C)O.OB(O)O
InChIInChI=1S/C7H16O2.BH3O3/c1-6(2,8)7(3,4)9-5;2-1(3)4/h8H,1-5H3;2-4H
InChIKeyWWILZZWHWPSZRF-UHFFFAOYSA-N
XLogP-0.87
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 boric acid;3-methoxy-2,3-dimethylbutan-2-ol?
The IUPAC name of boric acid;3-methoxy-2,3-dimethylbutan-2-ol (CID 87096498) is boric acid;3-methoxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for boric acid;3-methoxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for boric acid;3-methoxy-2,3-dimethylbutan-2-ol is COC(C)(C)C(C)(C)O.OB(O)O.
What is the InChIKey of boric acid;3-methoxy-2,3-dimethylbutan-2-ol?
The InChIKey is WWILZZWHWPSZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.BH3O3/c1-6(2,8)7(3,4)9-5;2-1(3)4/h8H,1-5H3;2-4H.
What are the key properties of boric acid;3-methoxy-2,3-dimethylbutan-2-ol?
boric acid;3-methoxy-2,3-dimethylbutan-2-ol has a molecular weight of 194.04 g/mol, XLogP of -0.87, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;3-methoxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 87096498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).