(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene

C15H28O — CID 58666227

IUPAC(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene
SMILESC/C=C/C=C\C(OCCC(C)CC)C(C)C
InChIInChI=1S/C15H28O/c1-6-8-9-10-15(13(3)4)16-12-11-14(5)7-2/h6,8-10,13-15H,7,11-12H2,1-5H3/b8-6+,10-9-
InChIKeyQFPGTXUFHXVTPH-YGKWUCAESA-N
MW224.39 g/mol
LogP4.60
Rot. Bonds8

About (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene

(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene (PubChem CID 58666227) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene
PubChem CID58666227
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene
SMILESC/C=C/C=C\C(OCCC(C)CC)C(C)C
InChIInChI=1S/C15H28O/c1-6-8-9-10-15(13(3)4)16-12-11-14(5)7-2/h6,8-10,13-15H,7,11-12H2,1-5H3/b8-6+,10-9-
InChIKeyQFPGTXUFHXVTPH-YGKWUCAESA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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 (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene?
The IUPAC name of (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene (CID 58666227) is (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene.
What is the SMILES notation for (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene?
The canonical SMILES for (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene is C/C=C/C=C\C(OCCC(C)CC)C(C)C.
What is the InChIKey of (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene?
The InChIKey is QFPGTXUFHXVTPH-YGKWUCAESA-N. The full InChI is InChI=1S/C15H28O/c1-6-8-9-10-15(13(3)4)16-12-11-14(5)7-2/h6,8-10,13-15H,7,11-12H2,1-5H3/b8-6+,10-9-.
What are the key properties of (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene?
(2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene has a molecular weight of 224.39 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7-methyl-6-(3-methylpentoxy)octa-2,4-diene is sourced from PubChem (CID 58666227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).