4-but-1-en-2-yl-5-ethenyl-1,3-dioxole

C9H12O2 — CID 156796243

IUPAC4-but-1-en-2-yl-5-ethenyl-1,3-dioxole
SMILESC=CC1=C(C(=C)CC)OCO1
InChIInChI=1S/C9H12O2/c1-4-7(3)9-8(5-2)10-6-11-9/h5H,2-4,6H2,1H3
InChIKeyUEPOEIFHFJDULK-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.35
Rot. Bonds3

About 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole

4-but-1-en-2-yl-5-ethenyl-1,3-dioxole (PubChem CID 156796243) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole.

Molecular Properties

Compound Name4-but-1-en-2-yl-5-ethenyl-1,3-dioxole
PubChem CID156796243
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-but-1-en-2-yl-5-ethenyl-1,3-dioxole
SMILESC=CC1=C(C(=C)CC)OCO1
InChIInChI=1S/C9H12O2/c1-4-7(3)9-8(5-2)10-6-11-9/h5H,2-4,6H2,1H3
InChIKeyUEPOEIFHFJDULK-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole?
The IUPAC name of 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole (CID 156796243) is 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole.
What is the SMILES notation for 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole?
The canonical SMILES for 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole is C=CC1=C(C(=C)CC)OCO1.
What is the InChIKey of 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole?
The InChIKey is UEPOEIFHFJDULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-7(3)9-8(5-2)10-6-11-9/h5H,2-4,6H2,1H3.
What are the key properties of 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole?
4-but-1-en-2-yl-5-ethenyl-1,3-dioxole has a molecular weight of 152.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-5-ethenyl-1,3-dioxole is sourced from PubChem (CID 156796243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).