4,4,6-trimethyloct-2-ene

C11H22 — CID 91386037

IUPAC4,4,6-trimethyloct-2-ene
SMILESCC=CC(C)(C)CC(C)CC
InChIInChI=1S/C11H22/c1-6-8-11(4,5)9-10(3)7-2/h6,8,10H,7,9H2,1-5H3
InChIKeyGIGPXBNCABKQGR-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds4

About 4,4,6-trimethyloct-2-ene

4,4,6-trimethyloct-2-ene (PubChem CID 91386037) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4,4,6-trimethyloct-2-ene.

Molecular Properties

Compound Name4,4,6-trimethyloct-2-ene
PubChem CID91386037
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4,4,6-trimethyloct-2-ene
SMILESCC=CC(C)(C)CC(C)CC
InChIInChI=1S/C11H22/c1-6-8-11(4,5)9-10(3)7-2/h6,8,10H,7,9H2,1-5H3
InChIKeyGIGPXBNCABKQGR-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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

(Z)-6-ethyl-4,4,6,8-tetramethyl-5-methylidenedec-2-ene;uranium
CID 142054657
methane;2,2,4-trimethylhexane
CID 159659116
(Z)-2,4,4-trimethylhept-5-enamide
CID 144603473
azane;2,2,4-trimethylhexane
CID 87634842
3-ethyl-4,4,6-trimethyloct-2-ene
CID 123752738
4-tert-butyl-3,4,6-trimethyloctane
CID 123273075
3,3,6-trimethyloct-1-ene
CID 123906537
3-fluoro-3,5-dimethylheptane
CID 123257807
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene
CID 91100441
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
4,4,6,6-tetramethyloct-2-ene
CID 123519288

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyloct-2-ene?
The IUPAC name of 4,4,6-trimethyloct-2-ene (CID 91386037) is 4,4,6-trimethyloct-2-ene.
What is the SMILES notation for 4,4,6-trimethyloct-2-ene?
The canonical SMILES for 4,4,6-trimethyloct-2-ene is CC=CC(C)(C)CC(C)CC.
What is the InChIKey of 4,4,6-trimethyloct-2-ene?
The InChIKey is GIGPXBNCABKQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-8-11(4,5)9-10(3)7-2/h6,8,10H,7,9H2,1-5H3.
What are the key properties of 4,4,6-trimethyloct-2-ene?
4,4,6-trimethyloct-2-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyloct-2-ene is sourced from PubChem (CID 91386037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).