4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

C8H10O2 — CID 141119726

IUPAC4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESCCC12C=CC3OC3C1O2
InChIInChI=1S/C8H10O2/c1-2-8-4-3-5-6(9-5)7(8)10-8/h3-7H,2H2,1H3
InChIKeyOVYWYTAPYGXZHD-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.87
Rot. Bonds1

About 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 141119726) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID141119726
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESCCC12C=CC3OC3C1O2
InChIInChI=1S/C8H10O2/c1-2-8-4-3-5-6(9-5)7(8)10-8/h3-7H,2H2,1H3
InChIKeyOVYWYTAPYGXZHD-UHFFFAOYSA-N
XLogP0.87
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Toluene dioxide
CID 73320957
Divinylbenzene dioxide
CID 87060285
Styrene oxide oxide
CID 88421445
(3S,6R,8S)-8-methyl-6-(2-methylcyclohex-2-en-1-yl)-1,7-dioxaspiro[2.5]oct-4-ene
CID 44356264
(3R,6R,8S)-8-methyl-6-(2-methylcyclohex-2-en-1-yl)-1,7-dioxaspiro[2.5]oct-4-ene
CID 44356356
1,2-Epoxydiphenyl ethane
CID 129712392
lithium (1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate
CID 134890094
Lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate
CID 135045984
2-(6-Methyl-2,5-dihydropyran-6-yl)-2,3,4,7-tetrahydrooxepine
CID 10845498
(1S,2R,4R,7S)-5-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 11491931
(1R,2R,4S,7R)-5-iodo-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 11680378
(1S,2S,4S,7S)-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 11715173

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (CID 141119726) is 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is CCC12C=CC3OC3C1O2.
What is the InChIKey of 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is OVYWYTAPYGXZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-8-4-3-5-6(9-5)7(8)10-8/h3-7H,2H2,1H3.
What are the key properties of 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 138.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 141119726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).