4-prop-2-enyldioxolane

C6H10O2 — CID 87750750

IUPAC4-prop-2-enyldioxolane
SMILESC=CCC1COOC1
InChIInChI=1S/C6H10O2/c1-2-3-6-4-7-8-5-6/h2,6H,1,3-5H2
InChIKeyNOILGTRXJUXMPK-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.14
Rot. Bonds2

About 4-prop-2-enyldioxolane

4-prop-2-enyldioxolane (PubChem CID 87750750) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-prop-2-enyldioxolane.

Molecular Properties

Compound Name4-prop-2-enyldioxolane
PubChem CID87750750
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-prop-2-enyldioxolane
SMILESC=CCC1COOC1
InChIInChI=1S/C6H10O2/c1-2-3-6-4-7-8-5-6/h2,6H,1,3-5H2
InChIKeyNOILGTRXJUXMPK-UHFFFAOYSA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Bis(ethenyl)dioxolane
CID 21479542
4-Ethenyl-3,3-dimethyldioxolane
CID 88299583
(3R,4S)-3-methyl-4-prop-2-enyldioxolane
CID 14417010

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyldioxolane?
The IUPAC name of 4-prop-2-enyldioxolane (CID 87750750) is 4-prop-2-enyldioxolane.
What is the SMILES notation for 4-prop-2-enyldioxolane?
The canonical SMILES for 4-prop-2-enyldioxolane is C=CCC1COOC1.
What is the InChIKey of 4-prop-2-enyldioxolane?
The InChIKey is NOILGTRXJUXMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-6-4-7-8-5-6/h2,6H,1,3-5H2.
What are the key properties of 4-prop-2-enyldioxolane?
4-prop-2-enyldioxolane has a molecular weight of 114.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyldioxolane is sourced from PubChem (CID 87750750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).