2,3-dimethylbutan-2-ol

C6H13O+ — CID 138963107

IUPAC2,3-dimethylbutan-2-ol
SMILESC[C+](C)C(C)(C)O
InChIInChI=1S/C6H13O/c1-5(2)6(3,4)7/h7H,1-4H3/q+1
InChIKeyWMQRWXPBQTWWAT-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.37
Rot. Bonds1

About 2,3-dimethylbutan-2-ol

2,3-dimethylbutan-2-ol (PubChem CID 138963107) has the molecular formula C6H13O+ and a molecular weight of 101.17 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2,3-dimethylbutan-2-ol
PubChem CID138963107
Molecular FormulaC6H13O+
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Name2,3-dimethylbutan-2-ol
SMILESC[C+](C)C(C)(C)O
InChIInChI=1S/C6H13O/c1-5(2)6(3,4)7/h7H,1-4H3/q+1
InChIKeyWMQRWXPBQTWWAT-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-ol?
The IUPAC name of 2,3-dimethylbutan-2-ol (CID 138963107) is 2,3-dimethylbutan-2-ol.
What is the SMILES notation for 2,3-dimethylbutan-2-ol?
The canonical SMILES for 2,3-dimethylbutan-2-ol is C[C+](C)C(C)(C)O.
What is the InChIKey of 2,3-dimethylbutan-2-ol?
The InChIKey is WMQRWXPBQTWWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O/c1-5(2)6(3,4)7/h7H,1-4H3/q+1.
What are the key properties of 2,3-dimethylbutan-2-ol?
2,3-dimethylbutan-2-ol has a molecular weight of 101.17 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-ol is sourced from PubChem (CID 138963107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).