3-buta-2,3-dien-2-yloxolan-2-one

C8H10O2 — CID 139254710

IUPAC3-buta-2,3-dien-2-yloxolan-2-one
SMILESC=C=C(C)C1CCOC1=O
InChIInChI=1S/C8H10O2/c1-3-6(2)7-4-5-10-8(7)9/h7H,1,4-5H2,2H3
InChIKeyRAGFWSQMYKRWGN-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.28
Rot. Bonds1

About 3-buta-2,3-dien-2-yloxolan-2-one

3-buta-2,3-dien-2-yloxolan-2-one (PubChem CID 139254710) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-buta-2,3-dien-2-yloxolan-2-one.

Molecular Properties

Compound Name3-buta-2,3-dien-2-yloxolan-2-one
PubChem CID139254710
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-buta-2,3-dien-2-yloxolan-2-one
SMILESC=C=C(C)C1CCOC1=O
InChIInChI=1S/C8H10O2/c1-3-6(2)7-4-5-10-8(7)9/h7H,1,4-5H2,2H3
InChIKeyRAGFWSQMYKRWGN-UHFFFAOYSA-N
XLogP1.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(3H)-Furanone, dihydro-4-(1-methylethenyl)-
CID 10796749
(4R)-4-prop-1-en-2-yloxolan-2-one
CID 13745734
(1,2-Dimethylallyl)dihydrofuran-2(3H)-one
CID 3024123
Ethyl 5-methyl-3,4-dihydro-2H-pyran-4-carboxylate
CID 566089
3-(Prop-1-en-2-yl)oxolane-2,5-dione
CID 4646435
3-(2-Methylprop-2-enyl)oxolan-2-one
CID 11815450
3-(Prop-1-en-2-yl)oxolan-2-one
CID 13205469
3-Ethenyl-3-ethyloxolan-2-one
CID 22598661
3-Methyl-4-(prop-1-en-2-yl)oxolan-2-one
CID 71372899
3-Ethyl-4-methylideneoxolan-2-one
CID 91316002
3-Ethenyl-4-ethyloxolan-2-one
CID 140132703
(3R)-3-(3-methylbut-2-enyl)oxolan-2-one
CID 141011824

Frequently Asked Questions

What is the IUPAC name of 3-buta-2,3-dien-2-yloxolan-2-one?
The IUPAC name of 3-buta-2,3-dien-2-yloxolan-2-one (CID 139254710) is 3-buta-2,3-dien-2-yloxolan-2-one.
What is the SMILES notation for 3-buta-2,3-dien-2-yloxolan-2-one?
The canonical SMILES for 3-buta-2,3-dien-2-yloxolan-2-one is C=C=C(C)C1CCOC1=O.
What is the InChIKey of 3-buta-2,3-dien-2-yloxolan-2-one?
The InChIKey is RAGFWSQMYKRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-6(2)7-4-5-10-8(7)9/h7H,1,4-5H2,2H3.
What are the key properties of 3-buta-2,3-dien-2-yloxolan-2-one?
3-buta-2,3-dien-2-yloxolan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-2,3-dien-2-yloxolan-2-one is sourced from PubChem (CID 139254710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).