ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane

C15H28O2 — CID 143197082

IUPACethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane
SMILESCC.CCC.CCC12OC1(C)CC(=O)C=C2C
InChIInChI=1S/C10H14O2.C3H8.C2H6/c1-4-10-7(2)5-8(11)6-9(10,3)12-10;1-3-2;1-2/h5H,4,6H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyUIAPSTOSULNGEO-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.29
Rot. Bonds1

About ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane

ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane (PubChem CID 143197082) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane.

Molecular Properties

Compound Nameethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane
PubChem CID143197082
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nameethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane
SMILESCC.CCC.CCC12OC1(C)CC(=O)C=C2C
InChIInChI=1S/C10H14O2.C3H8.C2H6/c1-4-10-7(2)5-8(11)6-9(10,3)12-10;1-3-2;1-2/h5H,4,6H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyUIAPSTOSULNGEO-UHFFFAOYSA-N
XLogP4.29
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6,10,10-Tetramethyl-1-oxaspiro(4,5)deca-2,6-dien-8-one
CID 44147198
8,9-Dehydrotheaspirone
CID 11745805
(5R)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
CID 71348468
1,2,2,4,5,6-Hexamethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 539816
2,2,6-Trimethyl-1-(3-oxo-but-1-enyl)-7-oxa-bicyclo[4.1.0]hept-4-en-3-one
CID 5363805
2,2,4,4,7-Pentamethyl-1-oxaspiro[2.4]hept-6-en-5-one
CID 102235030
methyl (2Z,4E)-5-[(1R,6S)-2,6-dimethyl-4-oxo-7-oxabicyclo[4.1.0]hept-2-en-1-yl]-3-methylpenta-2,4-dienoate
CID 126628289
(6R)-1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 130436895
1,5-Dimethyl-6-propan-2-yl-7-oxabicyclo[4.1.0]hept-4-en-3-one;ethane
CID 143197084
(1S,6R)-1,5,6-trimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 164013057
2,2,5,6-Tetramethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 10329660
(1S,6R)-1,2,2,4,5,6-hexamethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 10774196

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane?
The IUPAC name of ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane (CID 143197082) is ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane.
What is the SMILES notation for ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane?
The canonical SMILES for ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane is CC.CCC.CCC12OC1(C)CC(=O)C=C2C.
What is the InChIKey of ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane?
The InChIKey is UIAPSTOSULNGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C3H8.C2H6/c1-4-10-7(2)5-8(11)6-9(10,3)12-10;1-3-2;1-2/h5H,4,6H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane?
ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane has a molecular weight of 240.39 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-1,5-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one;propane is sourced from PubChem (CID 143197082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).