Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine

C₁₁H₁₉NO — CID 142971050

About Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine

Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine (PubChem CID 142971050) has the molecular formula C₁₁H₁₉NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine.

Molecular Properties

• Compound Name: Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine
• PubChem CID: 142971050
• Molecular Formula: C₁₁H₁₉NO
• Molecular Weight: 181.28 g/mol
• Exact Mass: 181.15
• IUPAC Name: ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine
• SMILES: C=C/C=C1/OC(C)N/C1=C/C.CC
• InChI: InChI=1S/C9H13NO.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-7,10H,1H2,2-3H3;1-2H3/b8-5+,9-6+
• InChIKey: FCDFUAPCXVDNQW-OYPDEJHISA-N
• XLogP: 2.95
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.28
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine?

The IUPAC name of Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine (CID 142971050) is ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine.

What is the SMILES notation for Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine?

The canonical SMILES for Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine is C=C/C=C1/OC(C)N/C1=C/C.CC.

What is the InChIKey of Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine?

The InChIKey is FCDFUAPCXVDNQW-OYPDEJHISA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-7,10H,1H2,2-3H3;1-2H3/b8-5+,9-6+;.

What are the key properties of Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine?

Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine has a molecular weight of 181.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine is sourced from PubChem (CID 142971050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142971050 — identifiers, structure, computed properties (public domain)

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