(4E,6E)-2-methylocta-2,4,6-triene

C9H14 — CID 12533132

IUPAC(4E,6E)-2-methylocta-2,4,6-triene
SMILESC/C=C/C=C/C=C(C)C
InChIInChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-8H,1-3H3/b5-4+,7-6+
InChIKeyAHXXJOUHGBPWGW-YTXTXJHMSA-N
MW122.21 g/mol
LogP3.08
Rot. Bonds2

About (4E,6E)-2-methylocta-2,4,6-triene

(4E,6E)-2-methylocta-2,4,6-triene (PubChem CID 12533132) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (4E,6E)-2-methylocta-2,4,6-triene.

Molecular Properties

Compound Name(4E,6E)-2-methylocta-2,4,6-triene
PubChem CID12533132
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(4E,6E)-2-methylocta-2,4,6-triene
SMILESC/C=C/C=C/C=C(C)C
InChIInChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-8H,1-3H3/b5-4+,7-6+
InChIKeyAHXXJOUHGBPWGW-YTXTXJHMSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2-methylocta-2,4,6-triene?
The IUPAC name of (4E,6E)-2-methylocta-2,4,6-triene (CID 12533132) is (4E,6E)-2-methylocta-2,4,6-triene.
What is the SMILES notation for (4E,6E)-2-methylocta-2,4,6-triene?
The canonical SMILES for (4E,6E)-2-methylocta-2,4,6-triene is C/C=C/C=C/C=C(C)C.
What is the InChIKey of (4E,6E)-2-methylocta-2,4,6-triene?
The InChIKey is AHXXJOUHGBPWGW-YTXTXJHMSA-N. The full InChI is InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-8H,1-3H3/b5-4+,7-6+.
What are the key properties of (4E,6E)-2-methylocta-2,4,6-triene?
(4E,6E)-2-methylocta-2,4,6-triene has a molecular weight of 122.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-2-methylocta-2,4,6-triene is sourced from PubChem (CID 12533132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).