(2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene

C18H34O — CID 89451397

IUPAC(2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene
SMILESCC/C(=C\C=C(/C)OC)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34O/c1-10-15(12-11-14(2)19-9)16(18(6,7)8)13-17(3,4)5/h11-12,16H,10,13H2,1-9H3/b14-11+,15-12+
InChIKeyAHLXQIZOCMVWLZ-LCPPQYOVSA-N
MW266.47 g/mol
LogP5.97
Rot. Bonds5

About (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene

(2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene (PubChem CID 89451397) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene
PubChem CID89451397
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene
SMILESCC/C(=C\C=C(/C)OC)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34O/c1-10-15(12-11-14(2)19-9)16(18(6,7)8)13-17(3,4)5/h11-12,16H,10,13H2,1-9H3/b14-11+,15-12+
InChIKeyAHLXQIZOCMVWLZ-LCPPQYOVSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene?
The IUPAC name of (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene (CID 89451397) is (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene.
What is the SMILES notation for (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene?
The canonical SMILES for (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene is CC/C(=C\C=C(/C)OC)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene?
The InChIKey is AHLXQIZOCMVWLZ-LCPPQYOVSA-N. The full InChI is InChI=1S/C18H34O/c1-10-15(12-11-14(2)19-9)16(18(6,7)8)13-17(3,4)5/h11-12,16H,10,13H2,1-9H3/b14-11+,15-12+.
What are the key properties of (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene?
(2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene has a molecular weight of 266.47 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-tert-butyl-5-ethyl-2-methoxy-8,8-dimethylnona-2,4-diene is sourced from PubChem (CID 89451397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).