ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane

C36H90O4 — CID 158817338

IUPACethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane
SMILESC.C/C=C/C=C/C.C=C.CC.CC.CC.CC.CC.CC.CCC1CO1.CCCOCC.CCOC.CCOC
InChIInChI=1S/C6H10.C5H12O.C4H8O.2C3H8O.6C2H6.C2H4.CH4/c2*1-3-5-6-4-2;1-2-4-3-5-4;2*1-3-4-2;7*1-2;/h3-6H,1-2H3;3-5H2,1-2H3;4H,2-3H2,1H3;2*3H2,1-2H3;6*1-2H3;1-2H2;1H4/b5-3+,6-4+;;;;;;;;;;;;
InChIKeyIVKVNUBAWCKYMH-PKCKVWIRSA-N
MW587.11 g/mol
LogP13.27
Rot. Bonds7

About ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane

ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane (PubChem CID 158817338) has the molecular formula C36H90O4 and a molecular weight of 587.11 g/mol. Its IUPAC name is ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane.

Molecular Properties

Compound Nameethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane
PubChem CID158817338
Molecular FormulaC36H90O4
Molecular Weight587.11 g/mol
Exact Mass586.68
IUPAC Nameethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane
SMILESC.C/C=C/C=C/C.C=C.CC.CC.CC.CC.CC.CC.CCC1CO1.CCCOCC.CCOC.CCOC
InChIInChI=1S/C6H10.C5H12O.C4H8O.2C3H8O.6C2H6.C2H4.CH4/c2*1-3-5-6-4-2;1-2-4-3-5-4;2*1-3-4-2;7*1-2;/h3-6H,1-2H3;3-5H2,1-2H3;4H,2-3H2,1H3;2*3H2,1-2H3;6*1-2H3;1-2H2;1H4/b5-3+,6-4+;;;;;;;;;;;;
InChIKeyIVKVNUBAWCKYMH-PKCKVWIRSA-N
XLogP13.27
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.11
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane?
The IUPAC name of ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane (CID 158817338) is ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane.
What is the SMILES notation for ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane?
The canonical SMILES for ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane is C.C/C=C/C=C/C.C=C.CC.CC.CC.CC.CC.CC.CCC1CO1.CCCOCC.CCOC.CCOC.
What is the InChIKey of ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane?
The InChIKey is IVKVNUBAWCKYMH-PKCKVWIRSA-N. The full InChI is InChI=1S/C6H10.C5H12O.C4H8O.2C3H8O.6C2H6.C2H4.CH4/c2*1-3-5-6-4-2;1-2-4-3-5-4;2*1-3-4-2;7*1-2;/h3-6H,1-2H3;3-5H2,1-2H3;4H,2-3H2,1H3;2*3H2,1-2H3;6*1-2H3;1-2H2;1H4/b5-3+,6-4+;;;;;;;;;;;;.
What are the key properties of ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane?
ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane has a molecular weight of 587.11 g/mol, XLogP of 13.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-ethoxypropane;2-ethyloxirane;(2E,4E)-hexa-2,4-diene;methane;methoxyethane is sourced from PubChem (CID 158817338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).