2-methyl-4-methylidenehex-2-ene

C8H14 — CID 91287838

IUPAC2-methyl-4-methylidenehex-2-ene
SMILESC=C(C=C(C)C)CC
InChIInChI=1S/C8H14/c1-5-8(4)6-7(2)3/h6H,4-5H2,1-3H3
InChIKeyMHZRGGLOFWUYSC-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.92
Rot. Bonds2

About 2-methyl-4-methylidenehex-2-ene

2-methyl-4-methylidenehex-2-ene (PubChem CID 91287838) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 2-methyl-4-methylidenehex-2-ene.

Molecular Properties

Compound Name2-methyl-4-methylidenehex-2-ene
PubChem CID91287838
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name2-methyl-4-methylidenehex-2-ene
SMILESC=C(C=C(C)C)CC
InChIInChI=1S/C8H14/c1-5-8(4)6-7(2)3/h6H,4-5H2,1-3H3
InChIKeyMHZRGGLOFWUYSC-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidenehex-2-ene?
The IUPAC name of 2-methyl-4-methylidenehex-2-ene (CID 91287838) is 2-methyl-4-methylidenehex-2-ene.
What is the SMILES notation for 2-methyl-4-methylidenehex-2-ene?
The canonical SMILES for 2-methyl-4-methylidenehex-2-ene is C=C(C=C(C)C)CC.
What is the InChIKey of 2-methyl-4-methylidenehex-2-ene?
The InChIKey is MHZRGGLOFWUYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-5-8(4)6-7(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-methylidenehex-2-ene?
2-methyl-4-methylidenehex-2-ene has a molecular weight of 110.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidenehex-2-ene is sourced from PubChem (CID 91287838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).