2,3,4,4,5,6-hexamethylhepta-2,5-diene

C13H24 — CID 58944238

IUPAC2,3,4,4,5,6-hexamethylhepta-2,5-diene
SMILESCC(C)=C(C)C(C)(C)C(C)=C(C)C
InChIInChI=1S/C13H24/c1-9(2)11(5)13(7,8)12(6)10(3)4/h1-8H3
InChIKeyAWUUUCVUOWSLHK-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds2

About 2,3,4,4,5,6-hexamethylhepta-2,5-diene

2,3,4,4,5,6-hexamethylhepta-2,5-diene (PubChem CID 58944238) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,3,4,4,5,6-hexamethylhepta-2,5-diene.

Molecular Properties

Compound Name2,3,4,4,5,6-hexamethylhepta-2,5-diene
PubChem CID58944238
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,3,4,4,5,6-hexamethylhepta-2,5-diene
SMILESCC(C)=C(C)C(C)(C)C(C)=C(C)C
InChIInChI=1S/C13H24/c1-9(2)11(5)13(7,8)12(6)10(3)4/h1-8H3
InChIKeyAWUUUCVUOWSLHK-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
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

1,2,4,4-Tetramethylcyclopentene
CID 144123
Npc36747
CID 5369064
2-Hexene, 2,3,5,5-tetramethyl-
CID 141765
Tetramethylcyclopropene
CID 141282
(E)-2,3-Di-tert-butyl-2-butene
CID 638064
1,2,3,3-Tetramethylcyclopentene
CID 14141137
1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl-
CID 138108
3,4,4-Trimethylhex-2-ene
CID 521474
(Z)-2,3-Di-tert-butyl-2-butene
CID 3036372
2,3,4,4-Tetramethyl-2-pentene
CID 12923851
2,3,4-Trimethylhex-2-ene
CID 17861707
2,5,5-Trimethyl-2-heptene
CID 91380773

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,5,6-hexamethylhepta-2,5-diene?
The IUPAC name of 2,3,4,4,5,6-hexamethylhepta-2,5-diene (CID 58944238) is 2,3,4,4,5,6-hexamethylhepta-2,5-diene.
What is the SMILES notation for 2,3,4,4,5,6-hexamethylhepta-2,5-diene?
The canonical SMILES for 2,3,4,4,5,6-hexamethylhepta-2,5-diene is CC(C)=C(C)C(C)(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4,4,5,6-hexamethylhepta-2,5-diene?
The InChIKey is AWUUUCVUOWSLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-9(2)11(5)13(7,8)12(6)10(3)4/h1-8H3.
What are the key properties of 2,3,4,4,5,6-hexamethylhepta-2,5-diene?
2,3,4,4,5,6-hexamethylhepta-2,5-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,5,6-hexamethylhepta-2,5-diene is sourced from PubChem (CID 58944238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).