4,4,6,6-tetramethyloct-2-ene

C12H24 — CID 123519288

IUPAC4,4,6,6-tetramethyloct-2-ene
SMILESCC=CC(C)(C)CC(C)(C)CC
InChIInChI=1S/C12H24/c1-7-9-12(5,6)10-11(3,4)8-2/h7,9H,8,10H2,1-6H3
InChIKeyUCCCMAZFJIBIQI-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds4

About 4,4,6,6-tetramethyloct-2-ene

4,4,6,6-tetramethyloct-2-ene (PubChem CID 123519288) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 4,4,6,6-tetramethyloct-2-ene.

Molecular Properties

Compound Name4,4,6,6-tetramethyloct-2-ene
PubChem CID123519288
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name4,4,6,6-tetramethyloct-2-ene
SMILESCC=CC(C)(C)CC(C)(C)CC
InChIInChI=1S/C12H24/c1-7-9-12(5,6)10-11(3,4)8-2/h7,9H,8,10H2,1-6H3
InChIKeyUCCCMAZFJIBIQI-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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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Related Compounds

(E)-4,4,6,6-tetramethylhept-2-ene
CID 20870209
5-ethyl-5,7,7-trimethylnon-2-ene
CID 123630849
3,3-diethyl-5,5-dimethylhept-1-ene
CID 123741463
4,4-dimethylnon-2-ene
CID 54495291
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
4,4,6-trimethyloct-2-ene
CID 91386037
2-chloro-2,4,4-trimethylhexane
CID 58017854
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
2-fluoro-2,4,4-trimethylhexane
CID 155702638
4-ethyl-4-methylnon-2-ene
CID 123220710
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyloct-2-ene?
The IUPAC name of 4,4,6,6-tetramethyloct-2-ene (CID 123519288) is 4,4,6,6-tetramethyloct-2-ene.
What is the SMILES notation for 4,4,6,6-tetramethyloct-2-ene?
The canonical SMILES for 4,4,6,6-tetramethyloct-2-ene is CC=CC(C)(C)CC(C)(C)CC.
What is the InChIKey of 4,4,6,6-tetramethyloct-2-ene?
The InChIKey is UCCCMAZFJIBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-7-9-12(5,6)10-11(3,4)8-2/h7,9H,8,10H2,1-6H3.
What are the key properties of 4,4,6,6-tetramethyloct-2-ene?
4,4,6,6-tetramethyloct-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyloct-2-ene is sourced from PubChem (CID 123519288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).