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

C7H14O2 — CID 18333454

IUPAC2-(3-methylbut-2-enoxy)ethanol
SMILESCC(C)=CCOCCO
InChIInChI=1S/C7H14O2/c1-7(2)3-5-9-6-4-8/h3,8H,4-6H2,1-2H3
InChIKeyXBVCDTSQEQPMQL-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

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

2-(3-methylbut-2-enoxy)ethanol (PubChem CID 18333454) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxy)ethanol.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxy)ethanol
PubChem CID18333454
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(3-methylbut-2-enoxy)ethanol
SMILESCC(C)=CCOCCO
InChIInChI=1S/C7H14O2/c1-7(2)3-5-9-6-4-8/h3,8H,4-6H2,1-2H3
InChIKeyXBVCDTSQEQPMQL-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': '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-2-enoxy)ethanol?
The IUPAC name of 2-(3-methylbut-2-enoxy)ethanol (CID 18333454) is 2-(3-methylbut-2-enoxy)ethanol.
What is the SMILES notation for 2-(3-methylbut-2-enoxy)ethanol?
The canonical SMILES for 2-(3-methylbut-2-enoxy)ethanol is CC(C)=CCOCCO.
What is the InChIKey of 2-(3-methylbut-2-enoxy)ethanol?
The InChIKey is XBVCDTSQEQPMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2)3-5-9-6-4-8/h3,8H,4-6H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxy)ethanol?
2-(3-methylbut-2-enoxy)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-(3-methylbut-2-enoxy)ethanol is sourced from PubChem (CID 18333454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).