(3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene

C15H28O — CID 58982193

IUPAC(3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene
SMILESCOC(C/C=C/C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H28O/c1-14(2,3)12-10-8-9-11-13(16-7)15(4,5)6/h8-10,12-13H,11H2,1-7H3/b9-8+,12-10+
InChIKeyRLWGBEFXEFGIJI-CDKJVOIVSA-N
MW224.39 g/mol
LogP4.60
Rot. Bonds4

About (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene

(3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene (PubChem CID 58982193) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene
PubChem CID58982193
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene
SMILESCOC(C/C=C/C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H28O/c1-14(2,3)12-10-8-9-11-13(16-7)15(4,5)6/h8-10,12-13H,11H2,1-7H3/b9-8+,12-10+
InChIKeyRLWGBEFXEFGIJI-CDKJVOIVSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.60
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 (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene?
The IUPAC name of (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene (CID 58982193) is (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene.
What is the SMILES notation for (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene?
The canonical SMILES for (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene is COC(C/C=C/C=C/C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene?
The InChIKey is RLWGBEFXEFGIJI-CDKJVOIVSA-N. The full InChI is InChI=1S/C15H28O/c1-14(2,3)12-10-8-9-11-13(16-7)15(4,5)6/h8-10,12-13H,11H2,1-7H3/b9-8+,12-10+.
What are the key properties of (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene?
(3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene has a molecular weight of 224.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene is sourced from PubChem (CID 58982193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).