ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane

C18H38O — CID 143380177

IUPACethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane
SMILESC/C=C\C=C(/CCC)CCOC.CC.CCC(C)C
InChIInChI=1S/C11H20O.C5H12.C2H6/c1-4-6-8-11(7-5-2)9-10-12-3;1-4-5(2)3;1-2/h4,6,8H,5,7,9-10H2,1-3H3;5H,4H2,1-3H3;1-2H3/b6-4-,11-8+;;
InChIKeyJOSDVUQCSWTFQE-ADWOKGRPSA-N
MW270.50 g/mol
LogP6.40
Rot. Bonds7

About ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane

ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane (PubChem CID 143380177) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane.

Molecular Properties

Compound Nameethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane
PubChem CID143380177
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Nameethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane
SMILESC/C=C\C=C(/CCC)CCOC.CC.CCC(C)C
InChIInChI=1S/C11H20O.C5H12.C2H6/c1-4-6-8-11(7-5-2)9-10-12-3;1-4-5(2)3;1-2/h4,6,8H,5,7,9-10H2,1-3H3;5H,4H2,1-3H3;1-2H3/b6-4-,11-8+;;
InChIKeyJOSDVUQCSWTFQE-ADWOKGRPSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane?
The IUPAC name of ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane (CID 143380177) is ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane.
What is the SMILES notation for ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane?
The canonical SMILES for ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane is C/C=C\C=C(/CCC)CCOC.CC.CCC(C)C.
What is the InChIKey of ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane?
The InChIKey is JOSDVUQCSWTFQE-ADWOKGRPSA-N. The full InChI is InChI=1S/C11H20O.C5H12.C2H6/c1-4-6-8-11(7-5-2)9-10-12-3;1-4-5(2)3;1-2/h4,6,8H,5,7,9-10H2,1-3H3;5H,4H2,1-3H3;1-2H3/b6-4-,11-8+;;.
What are the key properties of ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane?
ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane has a molecular weight of 270.50 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane is sourced from PubChem (CID 143380177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).