(3Z)-2,6-dimethylhepta-1,3,5-triene

C9H14 — CID 96562826

IUPAC(3Z)-2,6-dimethylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C=C(C)C
InChIInChI=1S/C9H14/c1-8(2)6-5-7-9(3)4/h5-7H,1H2,2-4H3/b6-5-
InChIKeyUTPOSGXXIJEVFD-WAYWQWQTSA-N
MW122.21 g/mol
LogP3.08
Rot. Bonds2

About (3Z)-2,6-dimethylhepta-1,3,5-triene

(3Z)-2,6-dimethylhepta-1,3,5-triene (PubChem CID 96562826) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (3Z)-2,6-dimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2,6-dimethylhepta-1,3,5-triene
PubChem CID96562826
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(3Z)-2,6-dimethylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C=C(C)C
InChIInChI=1S/C9H14/c1-8(2)6-5-7-9(3)4/h5-7H,1H2,2-4H3/b6-5-
InChIKeyUTPOSGXXIJEVFD-WAYWQWQTSA-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 (3Z)-2,6-dimethylhepta-1,3,5-triene?
The IUPAC name of (3Z)-2,6-dimethylhepta-1,3,5-triene (CID 96562826) is (3Z)-2,6-dimethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z)-2,6-dimethylhepta-1,3,5-triene?
The canonical SMILES for (3Z)-2,6-dimethylhepta-1,3,5-triene is C=C(C)/C=C\C=C(C)C.
What is the InChIKey of (3Z)-2,6-dimethylhepta-1,3,5-triene?
The InChIKey is UTPOSGXXIJEVFD-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14/c1-8(2)6-5-7-9(3)4/h5-7H,1H2,2-4H3/b6-5-.
What are the key properties of (3Z)-2,6-dimethylhepta-1,3,5-triene?
(3Z)-2,6-dimethylhepta-1,3,5-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 (3Z)-2,6-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 96562826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).