2-buta-2,3-dienyloxolane

C8H12O — CID 54272172

IUPAC2-buta-2,3-dienyloxolane
SMILESC=C=CCC1CCCO1
InChIInChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h3,8H,1,4-7H2
InChIKeyRKXRXJZGDJKDNY-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.90
Rot. Bonds2

About 2-buta-2,3-dienyloxolane

2-buta-2,3-dienyloxolane (PubChem CID 54272172) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-buta-2,3-dienyloxolane.

Molecular Properties

Compound Name2-buta-2,3-dienyloxolane
PubChem CID54272172
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-buta-2,3-dienyloxolane
SMILESC=C=CCC1CCCO1
InChIInChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h3,8H,1,4-7H2
InChIKeyRKXRXJZGDJKDNY-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-buta-2,3-dienyloxolane?
The IUPAC name of 2-buta-2,3-dienyloxolane (CID 54272172) is 2-buta-2,3-dienyloxolane.
What is the SMILES notation for 2-buta-2,3-dienyloxolane?
The canonical SMILES for 2-buta-2,3-dienyloxolane is C=C=CCC1CCCO1.
What is the InChIKey of 2-buta-2,3-dienyloxolane?
The InChIKey is RKXRXJZGDJKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h3,8H,1,4-7H2.
What are the key properties of 2-buta-2,3-dienyloxolane?
2-buta-2,3-dienyloxolane has a molecular weight of 124.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dienyloxolane is sourced from PubChem (CID 54272172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).