(E)-4-ethyl-6,6-dimethyloct-2-ene

C12H24 — CID 173194197

IUPAC(E)-4-ethyl-6,6-dimethyloct-2-ene
SMILESC/C=C/C(CC)CC(C)(C)CC
InChIInChI=1S/C12H24/c1-6-9-11(7-2)10-12(4,5)8-3/h6,9,11H,7-8,10H2,1-5H3/b9-6+
InChIKeyDQANOHRCUWZKIY-RMKNXTFCSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About (E)-4-ethyl-6,6-dimethyloct-2-ene

(E)-4-ethyl-6,6-dimethyloct-2-ene (PubChem CID 173194197) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (E)-4-ethyl-6,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(E)-4-ethyl-6,6-dimethyloct-2-ene
PubChem CID173194197
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(E)-4-ethyl-6,6-dimethyloct-2-ene
SMILESC/C=C/C(CC)CC(C)(C)CC
InChIInChI=1S/C12H24/c1-6-9-11(7-2)10-12(4,5)8-3/h6,9,11H,7-8,10H2,1-5H3/b9-6+
InChIKeyDQANOHRCUWZKIY-RMKNXTFCSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-6,6-dimethyloct-2-ene?
The IUPAC name of (E)-4-ethyl-6,6-dimethyloct-2-ene (CID 173194197) is (E)-4-ethyl-6,6-dimethyloct-2-ene.
What is the SMILES notation for (E)-4-ethyl-6,6-dimethyloct-2-ene?
The canonical SMILES for (E)-4-ethyl-6,6-dimethyloct-2-ene is C/C=C/C(CC)CC(C)(C)CC.
What is the InChIKey of (E)-4-ethyl-6,6-dimethyloct-2-ene?
The InChIKey is DQANOHRCUWZKIY-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H24/c1-6-9-11(7-2)10-12(4,5)8-3/h6,9,11H,7-8,10H2,1-5H3/b9-6+.
What are the key properties of (E)-4-ethyl-6,6-dimethyloct-2-ene?
(E)-4-ethyl-6,6-dimethyloct-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-6,6-dimethyloct-2-ene is sourced from PubChem (CID 173194197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).