4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane

C9H16O2 — CID 13497315

IUPAC4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1CC
InChIInChI=1S/C9H16O2/c1-5-7-8(6-2)11-9(3,4)10-7/h5,7-8H,1,6H2,2-4H3
InChIKeyAYDLMOGYYSVUMZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds2

About 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane

4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 13497315) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
PubChem CID13497315
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1CC
InChIInChI=1S/C9H16O2/c1-5-7-8(6-2)11-9(3,4)10-7/h5,7-8H,1,6H2,2-4H3
InChIKeyAYDLMOGYYSVUMZ-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Isobutyl-4-vinyl-1,3-dioxolane
CID 71471386
2,3-Dehydrobrevicomin
CID 125991
2-Methyl-2-(3-butenyl)-1,3-dioxolane
CID 11768681
(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
4-(But-3-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 10898938
1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638
2,4,5-Triethenyl-1,3-dioxolane
CID 71438911
(4S,5R)-2,2-dimethyl-4-((r)-oxiran-2-yl)-5-vinyl-1,3-dioxolane
CID 11126700
(2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane
CID 11171948
(3aR,4R,7aS)-2,2,4-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 11446573
(4S,5S)-4-ethenyl-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane
CID 11499284
(3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11542886

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane (CID 13497315) is 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane is C=CC1OC(C)(C)OC1CC.
What is the InChIKey of 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is AYDLMOGYYSVUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-7-8(6-2)11-9(3,4)10-7/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane?
4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 13497315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).