2,2,6-trimethyloct-4-ene

C11H22 — CID 91281227

IUPAC2,2,6-trimethyloct-4-ene
SMILESCCC(C)C=CCC(C)(C)C
InChIInChI=1S/C11H22/c1-6-10(2)8-7-9-11(3,4)5/h7-8,10H,6,9H2,1-5H3
InChIKeyVNZCHWOPMLPGRN-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds3

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

2,2,6-trimethyloct-4-ene (PubChem CID 91281227) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 2,2,6-trimethyloct-4-ene.

Molecular Properties

Compound Name2,2,6-trimethyloct-4-ene
PubChem CID91281227
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name2,2,6-trimethyloct-4-ene
SMILESCCC(C)C=CCC(C)(C)C
InChIInChI=1S/C11H22/c1-6-10(2)8-7-9-11(3,4)5/h7-8,10H,6,9H2,1-5H3
InChIKeyVNZCHWOPMLPGRN-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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)-1,1,1-trifluoro-5-methylhept-3-ene
CID 154518878
(Z)-5-methylhept-3-ene
CID 5364727
3,6-dimethyloct-4-ene
CID 73165576
(E)-4-methylhex-2-en-1-ol
CID 12036147
(2E,6E)-4,8-dimethyldeca-2,6-diene
CID 173250236
3,7,8-trimethylnon-4-ene
CID 91465939
(E)-3-methylnon-4-ene
CID 13082837
(E)-3-methyldec-4-ene
CID 5364642
(E,3R)-2,3,6-trimethyloct-4-en-2-ol
CID 90299782
4-methyl-N-propan-2-ylhex-2-en-1-amine
CID 115278158
N,7-dimethylnon-5-en-1-amine
CID 166916633
(E)-7-methylnon-5-en-2-ol
CID 87272842

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyloct-4-ene?
The IUPAC name of 2,2,6-trimethyloct-4-ene (CID 91281227) is 2,2,6-trimethyloct-4-ene.
What is the SMILES notation for 2,2,6-trimethyloct-4-ene?
The canonical SMILES for 2,2,6-trimethyloct-4-ene is CCC(C)C=CCC(C)(C)C.
What is the InChIKey of 2,2,6-trimethyloct-4-ene?
The InChIKey is VNZCHWOPMLPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-10(2)8-7-9-11(3,4)5/h7-8,10H,6,9H2,1-5H3.
What are the key properties of 2,2,6-trimethyloct-4-ene?
2,2,6-trimethyloct-4-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyloct-4-ene is sourced from PubChem (CID 91281227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).