2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane

C8H14O3 — CID 54355827

IUPAC2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane
SMILESCOCC=C(C)C1OCCO1
InChIInChI=1S/C8H14O3/c1-7(3-4-9-2)8-10-5-6-11-8/h3,8H,4-6H2,1-2H3
InChIKeyUJAKZKFGWRSSTH-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds3

About 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane

2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane (PubChem CID 54355827) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane
PubChem CID54355827
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane
SMILESCOCC=C(C)C1OCCO1
InChIInChI=1S/C8H14O3/c1-7(3-4-9-2)8-10-5-6-11-8/h3,8H,4-6H2,1-2H3
InChIKeyUJAKZKFGWRSSTH-UHFFFAOYSA-N
XLogP0.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane (CID 54355827) is 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane is COCC=C(C)C1OCCO1.
What is the InChIKey of 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane?
The InChIKey is UJAKZKFGWRSSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(3-4-9-2)8-10-5-6-11-8/h3,8H,4-6H2,1-2H3.
What are the key properties of 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane?
2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane has a molecular weight of 158.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane is sourced from PubChem (CID 54355827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).