4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one

C8H8O3 — CID 139423248

IUPAC4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C=C(C)C1OC(=O)OC1=C
InChIInChI=1S/C8H8O3/c1-4-5(2)7-6(3)10-8(9)11-7/h7H,1,3H2,2H3
InChIKeySPZHNZIMGOGDGR-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.77
Rot. Bonds1

About 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one

4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one (PubChem CID 139423248) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one
PubChem CID139423248
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C=C(C)C1OC(=O)OC1=C
InChIInChI=1S/C8H8O3/c1-4-5(2)7-6(3)10-8(9)11-7/h7H,1,3H2,2H3
InChIKeySPZHNZIMGOGDGR-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one (CID 139423248) is 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one is C=C=C(C)C1OC(=O)OC1=C.
What is the InChIKey of 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is SPZHNZIMGOGDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-4-5(2)7-6(3)10-8(9)11-7/h7H,1,3H2,2H3.
What are the key properties of 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one?
4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 152.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-2,3-dien-2-yl-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 139423248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).