6-ethyl-3,5,6-trimethyloct-2-ene

C13H26 — CID 91251673

IUPAC6-ethyl-3,5,6-trimethyloct-2-ene
SMILESCC=C(C)CC(C)C(C)(CC)CC
InChIInChI=1S/C13H26/c1-7-11(4)10-12(5)13(6,8-2)9-3/h7,12H,8-10H2,1-6H3
InChIKeyZUKNCZNKJARRIL-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds5

About 6-ethyl-3,5,6-trimethyloct-2-ene

6-ethyl-3,5,6-trimethyloct-2-ene (PubChem CID 91251673) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 6-ethyl-3,5,6-trimethyloct-2-ene.

Molecular Properties

Compound Name6-ethyl-3,5,6-trimethyloct-2-ene
PubChem CID91251673
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name6-ethyl-3,5,6-trimethyloct-2-ene
SMILESCC=C(C)CC(C)C(C)(CC)CC
InChIInChI=1S/C13H26/c1-7-11(4)10-12(5)13(6,8-2)9-3/h7,12H,8-10H2,1-6H3
InChIKeyZUKNCZNKJARRIL-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-3,3,4,7,8-pentamethyldec-4-ene
CID 123972769
6-ethyl-2,6,7-trimethylnon-2-ene
CID 123408225
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
(Z,3S)-5-methylhept-5-en-3-ol
CID 97304128
(E,2R)-2,4-dimethylhex-4-en-1-ol
CID 10103193
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682
2-ethyl-2,3-dimethylpentane-1-thiol
CID 123266767
(3-ethyl-2,3-dimethylpentyl) formate
CID 87470285
3-ethyl-5,6,6-trimethyloct-2-ene
CID 123986789
8-ethyl-2,7,8-trimethyldecane
CID 90813779
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,5,6-trimethyloct-2-ene?
The IUPAC name of 6-ethyl-3,5,6-trimethyloct-2-ene (CID 91251673) is 6-ethyl-3,5,6-trimethyloct-2-ene.
What is the SMILES notation for 6-ethyl-3,5,6-trimethyloct-2-ene?
The canonical SMILES for 6-ethyl-3,5,6-trimethyloct-2-ene is CC=C(C)CC(C)C(C)(CC)CC.
What is the InChIKey of 6-ethyl-3,5,6-trimethyloct-2-ene?
The InChIKey is ZUKNCZNKJARRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-7-11(4)10-12(5)13(6,8-2)9-3/h7,12H,8-10H2,1-6H3.
What are the key properties of 6-ethyl-3,5,6-trimethyloct-2-ene?
6-ethyl-3,5,6-trimethyloct-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,5,6-trimethyloct-2-ene is sourced from PubChem (CID 91251673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).