2-propan-2-yloxyethanol

C5H11O2+ — CID 134971050

IUPAC2-propan-2-yloxyethanol
SMILESC[C+](C)OCCO
InChIInChI=1S/C5H11O2/c1-5(2)7-4-3-6/h6H,3-4H2,1-2H3/q+1
InChIKeyHVNOBAKGGMQIMZ-UHFFFAOYSA-N
MW103.14 g/mol
LogP0.57
Rot. Bonds3

About 2-propan-2-yloxyethanol

2-propan-2-yloxyethanol (PubChem CID 134971050) has the molecular formula C5H11O2+ and a molecular weight of 103.14 g/mol. Its IUPAC name is 2-propan-2-yloxyethanol.

Molecular Properties

Compound Name2-propan-2-yloxyethanol
PubChem CID134971050
Molecular FormulaC5H11O2+
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name2-propan-2-yloxyethanol
SMILESC[C+](C)OCCO
InChIInChI=1S/C5H11O2/c1-5(2)7-4-3-6/h6H,3-4H2,1-2H3/q+1
InChIKeyHVNOBAKGGMQIMZ-UHFFFAOYSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propan-2-yloxyethanol?
The IUPAC name of 2-propan-2-yloxyethanol (CID 134971050) is 2-propan-2-yloxyethanol.
What is the SMILES notation for 2-propan-2-yloxyethanol?
The canonical SMILES for 2-propan-2-yloxyethanol is C[C+](C)OCCO.
What is the InChIKey of 2-propan-2-yloxyethanol?
The InChIKey is HVNOBAKGGMQIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2/c1-5(2)7-4-3-6/h6H,3-4H2,1-2H3/q+1.
What are the key properties of 2-propan-2-yloxyethanol?
2-propan-2-yloxyethanol has a molecular weight of 103.14 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethanol is sourced from PubChem (CID 134971050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).