4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene

C11H20O2 — CID 143329167

IUPAC4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene
SMILESC=C.C=CC1OCOC1C(C)CC
InChIInChI=1S/C9H16O2.C2H4/c1-4-7(3)9-8(5-2)10-6-11-9;1-2/h5,7-9H,2,4,6H2,1,3H3;1-2H2
InChIKeyOJRNHCWIBYOYEO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.76
Rot. Bonds3

About 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene

4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene (PubChem CID 143329167) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene.

Molecular Properties

Compound Name4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene
PubChem CID143329167
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene
SMILESC=C.C=CC1OCOC1C(C)CC
InChIInChI=1S/C9H16O2.C2H4/c1-4-7(3)9-8(5-2)10-6-11-9;1-2/h5,7-9H,2,4,6H2,1,3H3;1-2H2
InChIKeyOJRNHCWIBYOYEO-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.76
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

(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane
CID 10558633
4-ethenyl-5-methyl-1,3-dioxolane
CID 154265114
ethyl (3R)-3-[(4S,5R)-5-ethenyl-1,3-dioxolan-4-yl]-4-nitrobutanoate
CID 100997213
2-butan-2-yl-4-ethenyl-1,3-dioxolane
CID 71471387
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane
CID 143261797
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361
(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
CID 130283506
(1R,2R,5S)-2-butan-2-yl-3,6-dioxabicyclo[3.1.0]hexane
CID 88956071
2-butan-2-yloxirane;methane
CID 161408982
2-butan-2-yl-3-ethyl-4-methyloxolane
CID 59936247
(4S,5R,6R)-5-methyl-4-pent-4-en-2-yl-6-[(2R)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
CID 134937910
3-butan-2-yl-1,2,4-trioxolane
CID 167523852

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene?
The IUPAC name of 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene (CID 143329167) is 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene.
What is the SMILES notation for 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene?
The canonical SMILES for 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene is C=C.C=CC1OCOC1C(C)CC.
What is the InChIKey of 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene?
The InChIKey is OJRNHCWIBYOYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C2H4/c1-4-7(3)9-8(5-2)10-6-11-9;1-2/h5,7-9H,2,4,6H2,1,3H3;1-2H2.
What are the key properties of 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene?
4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene has a molecular weight of 184.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene is sourced from PubChem (CID 143329167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).