2-buta-2,3-dienoxyethanol

C6H10O2 — CID 542265

IUPAC2-buta-2,3-dienoxyethanol
SMILESC=C=CCOCCO
InChIInChI=1S/C6H10O2/c1-2-3-5-8-6-4-7/h3,7H,1,4-6H2
InChIKeyBWBHBAKQYKBDSZ-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.34
Rot. Bonds4

About 2-buta-2,3-dienoxyethanol

2-buta-2,3-dienoxyethanol (PubChem CID 542265) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-buta-2,3-dienoxyethanol.

Molecular Properties

Compound Name2-buta-2,3-dienoxyethanol
PubChem CID542265
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-buta-2,3-dienoxyethanol
SMILESC=C=CCOCCO
InChIInChI=1S/C6H10O2/c1-2-3-5-8-6-4-7/h3,7H,1,4-6H2
InChIKeyBWBHBAKQYKBDSZ-UHFFFAOYSA-N
XLogP0.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-buta-2,3-dienoxyethanol?
The IUPAC name of 2-buta-2,3-dienoxyethanol (CID 542265) is 2-buta-2,3-dienoxyethanol.
What is the SMILES notation for 2-buta-2,3-dienoxyethanol?
The canonical SMILES for 2-buta-2,3-dienoxyethanol is C=C=CCOCCO.
What is the InChIKey of 2-buta-2,3-dienoxyethanol?
The InChIKey is BWBHBAKQYKBDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-5-8-6-4-7/h3,7H,1,4-6H2.
What are the key properties of 2-buta-2,3-dienoxyethanol?
2-buta-2,3-dienoxyethanol has a molecular weight of 114.14 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dienoxyethanol is sourced from PubChem (CID 542265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).