2-(2-methylbut-3-en-2-yloxy)ethanol

C7H14O2 — CID 87195767

IUPAC2-(2-methylbut-3-en-2-yloxy)ethanol
SMILESC=CC(C)(C)OCCO
InChIInChI=1S/C7H14O2/c1-4-7(2,3)9-6-5-8/h4,8H,1,5-6H2,2-3H3
InChIKeyRAXWHJDZEHENHY-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

About 2-(2-methylbut-3-en-2-yloxy)ethanol

2-(2-methylbut-3-en-2-yloxy)ethanol (PubChem CID 87195767) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(2-methylbut-3-en-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(2-methylbut-3-en-2-yloxy)ethanol
PubChem CID87195767
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(2-methylbut-3-en-2-yloxy)ethanol
SMILESC=CC(C)(C)OCCO
InChIInChI=1S/C7H14O2/c1-4-7(2,3)9-6-5-8/h4,8H,1,5-6H2,2-3H3
InChIKeyRAXWHJDZEHENHY-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-en-2-yloxy)ethanol?
The IUPAC name of 2-(2-methylbut-3-en-2-yloxy)ethanol (CID 87195767) is 2-(2-methylbut-3-en-2-yloxy)ethanol.
What is the SMILES notation for 2-(2-methylbut-3-en-2-yloxy)ethanol?
The canonical SMILES for 2-(2-methylbut-3-en-2-yloxy)ethanol is C=CC(C)(C)OCCO.
What is the InChIKey of 2-(2-methylbut-3-en-2-yloxy)ethanol?
The InChIKey is RAXWHJDZEHENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(2,3)9-6-5-8/h4,8H,1,5-6H2,2-3H3.
What are the key properties of 2-(2-methylbut-3-en-2-yloxy)ethanol?
2-(2-methylbut-3-en-2-yloxy)ethanol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-en-2-yloxy)ethanol is sourced from PubChem (CID 87195767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).