4-ethenyl-2-propyl-1,3-dioxolane

C8H14O2 — CID 19388275

IUPAC4-ethenyl-2-propyl-1,3-dioxolane
SMILESC=CC1COC(CCC)O1
InChIInChI=1S/C8H14O2/c1-3-5-8-9-6-7(4-2)10-8/h4,7-8H,2-3,5-6H2,1H3
InChIKeySHMJUWXWEUTOAO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.71
Rot. Bonds3

About 4-ethenyl-2-propyl-1,3-dioxolane

4-ethenyl-2-propyl-1,3-dioxolane (PubChem CID 19388275) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-ethenyl-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-propyl-1,3-dioxolane
PubChem CID19388275
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-ethenyl-2-propyl-1,3-dioxolane
SMILESC=CC1COC(CCC)O1
InChIInChI=1S/C8H14O2/c1-3-5-8-9-6-7(4-2)10-8/h4,7-8H,2-3,5-6H2,1H3
InChIKeySHMJUWXWEUTOAO-UHFFFAOYSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-ethenyl-2-propyl-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-propyl-1,3-dioxolane (CID 19388275) is 4-ethenyl-2-propyl-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-propyl-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-propyl-1,3-dioxolane is C=CC1COC(CCC)O1.
What is the InChIKey of 4-ethenyl-2-propyl-1,3-dioxolane?
The InChIKey is SHMJUWXWEUTOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8-9-6-7(4-2)10-8/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 4-ethenyl-2-propyl-1,3-dioxolane?
4-ethenyl-2-propyl-1,3-dioxolane has a molecular weight of 142.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-propyl-1,3-dioxolane is sourced from PubChem (CID 19388275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).