2-ethylbut-3-en-1-ol

C6H12O — CID 11159296

IUPAC2-ethylbut-3-en-1-ol
SMILESC=CC(CC)CO
InChIInChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,6-7H,1,4-5H2,2H3
InChIKeyJRKCHZNIMYXNJD-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.19
Rot. Bonds3

About 2-ethylbut-3-en-1-ol

2-ethylbut-3-en-1-ol (PubChem CID 11159296) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-ethylbut-3-en-1-ol.

Molecular Properties

Compound Name2-ethylbut-3-en-1-ol
PubChem CID11159296
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-ethylbut-3-en-1-ol
SMILESC=CC(CC)CO
InChIInChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,6-7H,1,4-5H2,2H3
InChIKeyJRKCHZNIMYXNJD-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethylbut-3-en-1-ol?
The IUPAC name of 2-ethylbut-3-en-1-ol (CID 11159296) is 2-ethylbut-3-en-1-ol.
What is the SMILES notation for 2-ethylbut-3-en-1-ol?
The canonical SMILES for 2-ethylbut-3-en-1-ol is C=CC(CC)CO.
What is the InChIKey of 2-ethylbut-3-en-1-ol?
The InChIKey is JRKCHZNIMYXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-ethylbut-3-en-1-ol?
2-ethylbut-3-en-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbut-3-en-1-ol is sourced from PubChem (CID 11159296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).