2-but-3-en-2-yloxyethanol

C6H12O2 — CID 14693003

IUPAC2-but-3-en-2-yloxyethanol
SMILESC=CC(C)OCCO
InChIInChI=1S/C6H12O2/c1-3-6(2)8-5-4-7/h3,6-7H,1,4-5H2,2H3
InChIKeyCCLBJPRXUYVKGJ-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.57
Rot. Bonds4

About 2-but-3-en-2-yloxyethanol

2-but-3-en-2-yloxyethanol (PubChem CID 14693003) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-but-3-en-2-yloxyethanol.

Molecular Properties

Compound Name2-but-3-en-2-yloxyethanol
PubChem CID14693003
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-but-3-en-2-yloxyethanol
SMILESC=CC(C)OCCO
InChIInChI=1S/C6H12O2/c1-3-6(2)8-5-4-7/h3,6-7H,1,4-5H2,2H3
InChIKeyCCLBJPRXUYVKGJ-UHFFFAOYSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.57
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-but-3-en-2-yloxyethanol?
The IUPAC name of 2-but-3-en-2-yloxyethanol (CID 14693003) is 2-but-3-en-2-yloxyethanol.
What is the SMILES notation for 2-but-3-en-2-yloxyethanol?
The canonical SMILES for 2-but-3-en-2-yloxyethanol is C=CC(C)OCCO.
What is the InChIKey of 2-but-3-en-2-yloxyethanol?
The InChIKey is CCLBJPRXUYVKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-6(2)8-5-4-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-but-3-en-2-yloxyethanol?
2-but-3-en-2-yloxyethanol has a molecular weight of 116.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxyethanol is sourced from PubChem (CID 14693003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).