2-(3-methylbut-3-enoxy)ethanol

C7H14O2 — CID 59336377

IUPAC2-(3-methylbut-3-enoxy)ethanol
SMILESC=C(C)CCOCCO
InChIInChI=1S/C7H14O2/c1-7(2)3-5-9-6-4-8/h8H,1,3-6H2,2H3
InChIKeyPYPLZIXSJMVSEH-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds5

About 2-(3-methylbut-3-enoxy)ethanol

2-(3-methylbut-3-enoxy)ethanol (PubChem CID 59336377) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(3-methylbut-3-enoxy)ethanol.

Molecular Properties

Compound Name2-(3-methylbut-3-enoxy)ethanol
PubChem CID59336377
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(3-methylbut-3-enoxy)ethanol
SMILESC=C(C)CCOCCO
InChIInChI=1S/C7H14O2/c1-7(2)3-5-9-6-4-8/h8H,1,3-6H2,2H3
InChIKeyPYPLZIXSJMVSEH-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enoxy)ethanol?
The IUPAC name of 2-(3-methylbut-3-enoxy)ethanol (CID 59336377) is 2-(3-methylbut-3-enoxy)ethanol.
What is the SMILES notation for 2-(3-methylbut-3-enoxy)ethanol?
The canonical SMILES for 2-(3-methylbut-3-enoxy)ethanol is C=C(C)CCOCCO.
What is the InChIKey of 2-(3-methylbut-3-enoxy)ethanol?
The InChIKey is PYPLZIXSJMVSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2)3-5-9-6-4-8/h8H,1,3-6H2,2H3.
What are the key properties of 2-(3-methylbut-3-enoxy)ethanol?
2-(3-methylbut-3-enoxy)ethanol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enoxy)ethanol is sourced from PubChem (CID 59336377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).