(2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene

C20H34O — CID 87697974

IUPAC(2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene
SMILESCCCC/C=C/C=C(\C)COC/C(C)=C/C=C/CCCC
InChIInChI=1S/C20H34O/c1-5-7-9-11-13-15-19(3)17-21-18-20(4)16-14-12-10-8-6-2/h11-16H,5-10,17-18H2,1-4H3/b13-11+,14-12+,19-15+,20-16+
InChIKeyUYZLASKZWKFGSG-QUQNRITQSA-N
MW290.49 g/mol
LogP6.39
Rot. Bonds12

About (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene

(2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene (PubChem CID 87697974) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene
PubChem CID87697974
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene
SMILESCCCC/C=C/C=C(\C)COC/C(C)=C/C=C/CCCC
InChIInChI=1S/C20H34O/c1-5-7-9-11-13-15-19(3)17-21-18-20(4)16-14-12-10-8-6-2/h11-16H,5-10,17-18H2,1-4H3/b13-11+,14-12+,19-15+,20-16+
InChIKeyUYZLASKZWKFGSG-QUQNRITQSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene?
The IUPAC name of (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene (CID 87697974) is (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene.
What is the SMILES notation for (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene?
The canonical SMILES for (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene is CCCC/C=C/C=C(\C)COC/C(C)=C/C=C/CCCC.
What is the InChIKey of (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene?
The InChIKey is UYZLASKZWKFGSG-QUQNRITQSA-N. The full InChI is InChI=1S/C20H34O/c1-5-7-9-11-13-15-19(3)17-21-18-20(4)16-14-12-10-8-6-2/h11-16H,5-10,17-18H2,1-4H3/b13-11+,14-12+,19-15+,20-16+.
What are the key properties of (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene?
(2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene has a molecular weight of 290.49 g/mol, XLogP of 6.39, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-methyl-1-[(2E,4E)-2-methylnona-2,4-dienoxy]nona-2,4-diene is sourced from PubChem (CID 87697974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).