(3E)-3-methylhexa-1,3,5-triene

C7H10 — CID 5367380

IUPAC(3E)-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(\C)C=C
InChIInChI=1S/C7H10/c1-4-6-7(3)5-2/h4-6H,1-2H2,3H3/b7-6+
InChIKeyNEVFABBVOIJXHE-VOTSOKGWSA-N
MW94.16 g/mol
LogP2.30
Rot. Bonds2

About (3E)-3-methylhexa-1,3,5-triene

(3E)-3-methylhexa-1,3,5-triene (PubChem CID 5367380) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (3E)-3-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-3-methylhexa-1,3,5-triene
PubChem CID5367380
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(3E)-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(\C)C=C
InChIInChI=1S/C7H10/c1-4-6-7(3)5-2/h4-6H,1-2H2,3H3/b7-6+
InChIKeyNEVFABBVOIJXHE-VOTSOKGWSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.30
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 (3E)-3-methylhexa-1,3,5-triene?
The IUPAC name of (3E)-3-methylhexa-1,3,5-triene (CID 5367380) is (3E)-3-methylhexa-1,3,5-triene.
What is the SMILES notation for (3E)-3-methylhexa-1,3,5-triene?
The canonical SMILES for (3E)-3-methylhexa-1,3,5-triene is C=C/C=C(\C)C=C.
What is the InChIKey of (3E)-3-methylhexa-1,3,5-triene?
The InChIKey is NEVFABBVOIJXHE-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H10/c1-4-6-7(3)5-2/h4-6H,1-2H2,3H3/b7-6+.
What are the key properties of (3E)-3-methylhexa-1,3,5-triene?
(3E)-3-methylhexa-1,3,5-triene has a molecular weight of 94.16 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methylhexa-1,3,5-triene is sourced from PubChem (CID 5367380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).