3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol

C9H21BO2 — CID 90216003

IUPAC3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol
SMILESCB(C)COC(C)(C)C(C)(C)O
InChIInChI=1S/C9H21BO2/c1-8(2,11)9(3,4)12-7-10(5)6/h11H,7H2,1-6H3
InChIKeyCKUHHAPNFBYQCZ-UHFFFAOYSA-N
MW172.08 g/mol
LogP1.85
Rot. Bonds4

About 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol

3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol (PubChem CID 90216003) has the molecular formula C9H21BO2 and a molecular weight of 172.08 g/mol. Its IUPAC name is 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol
PubChem CID90216003
Molecular FormulaC9H21BO2
Molecular Weight172.08 g/mol
Exact Mass172.16
IUPAC Name3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol
SMILESCB(C)COC(C)(C)C(C)(C)O
InChIInChI=1S/C9H21BO2/c1-8(2,11)9(3,4)12-7-10(5)6/h11H,7H2,1-6H3
InChIKeyCKUHHAPNFBYQCZ-UHFFFAOYSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol (CID 90216003) is 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol is CB(C)COC(C)(C)C(C)(C)O.
What is the InChIKey of 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol?
The InChIKey is CKUHHAPNFBYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO2/c1-8(2,11)9(3,4)12-7-10(5)6/h11H,7H2,1-6H3.
What are the key properties of 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol?
3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol has a molecular weight of 172.08 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylboranylmethoxy)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 90216003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).