(2E,4E)-5-ethyl-7-methylocta-2,4-diene

C11H20 — CID 173194163

IUPAC(2E,4E)-5-ethyl-7-methylocta-2,4-diene
SMILESC/C=C/C=C(\CC)CC(C)C
InChIInChI=1S/C11H20/c1-5-7-8-11(6-2)9-10(3)4/h5,7-8,10H,6,9H2,1-4H3/b7-5+,11-8+
InChIKeyZIRZGACJKGRAOV-PAQHSLSSSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds4

About (2E,4E)-5-ethyl-7-methylocta-2,4-diene

(2E,4E)-5-ethyl-7-methylocta-2,4-diene (PubChem CID 173194163) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (2E,4E)-5-ethyl-7-methylocta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-5-ethyl-7-methylocta-2,4-diene
PubChem CID173194163
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(2E,4E)-5-ethyl-7-methylocta-2,4-diene
SMILESC/C=C/C=C(\CC)CC(C)C
InChIInChI=1S/C11H20/c1-5-7-8-11(6-2)9-10(3)4/h5,7-8,10H,6,9H2,1-4H3/b7-5+,11-8+
InChIKeyZIRZGACJKGRAOV-PAQHSLSSSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
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 (2E,4E)-5-ethyl-7-methylocta-2,4-diene?
The IUPAC name of (2E,4E)-5-ethyl-7-methylocta-2,4-diene (CID 173194163) is (2E,4E)-5-ethyl-7-methylocta-2,4-diene.
What is the SMILES notation for (2E,4E)-5-ethyl-7-methylocta-2,4-diene?
The canonical SMILES for (2E,4E)-5-ethyl-7-methylocta-2,4-diene is C/C=C/C=C(\CC)CC(C)C.
What is the InChIKey of (2E,4E)-5-ethyl-7-methylocta-2,4-diene?
The InChIKey is ZIRZGACJKGRAOV-PAQHSLSSSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-8-11(6-2)9-10(3)4/h5,7-8,10H,6,9H2,1-4H3/b7-5+,11-8+.
What are the key properties of (2E,4E)-5-ethyl-7-methylocta-2,4-diene?
(2E,4E)-5-ethyl-7-methylocta-2,4-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-ethyl-7-methylocta-2,4-diene is sourced from PubChem (CID 173194163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).