2,3,5,6-tetramethylhepta-2,5-diene

C11H20 — CID 18683698

IUPAC2,3,5,6-tetramethylhepta-2,5-diene
SMILESCC(C)=C(C)CC(C)=C(C)C
InChIInChI=1S/C11H20/c1-8(2)10(5)7-11(6)9(3)4/h7H2,1-6H3
InChIKeyXTPRHVLFCIIAON-UHFFFAOYSA-N
MW152.28 g/mol
LogP4.09
Rot. Bonds2

About 2,3,5,6-tetramethylhepta-2,5-diene

2,3,5,6-tetramethylhepta-2,5-diene (PubChem CID 18683698) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,3,5,6-tetramethylhepta-2,5-diene.

Molecular Properties

Compound Name2,3,5,6-tetramethylhepta-2,5-diene
PubChem CID18683698
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,3,5,6-tetramethylhepta-2,5-diene
SMILESCC(C)=C(C)CC(C)=C(C)C
InChIInChI=1S/C11H20/c1-8(2)10(5)7-11(6)9(3)4/h7H2,1-6H3
InChIKeyXTPRHVLFCIIAON-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.09
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

Geraniolene
CID 81203
2,6,10-Trimethyldodeca-2,6,10-triene
CID 4475483
2-Methyl-2-heptene
CID 12330
(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene
CID 444108
(6E)-2,6-dimethyl-2,6-octadiene
CID 5365898
2,3-Dimethyl-2-hexene
CID 23528
1,5,9-Cyclododecatriene, 1,5,9-trimethyl-
CID 5365777
(E)-3,4-Dimethylhex-3-ene
CID 3034312
cis-2,6-Dimethyl-2,6-octadiene
CID 5352478
4-Methyl-3-heptene
CID 5364638
(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 21734683
(Z)-4-Methylhept-3-ene
CID 5383005

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylhepta-2,5-diene?
The IUPAC name of 2,3,5,6-tetramethylhepta-2,5-diene (CID 18683698) is 2,3,5,6-tetramethylhepta-2,5-diene.
What is the SMILES notation for 2,3,5,6-tetramethylhepta-2,5-diene?
The canonical SMILES for 2,3,5,6-tetramethylhepta-2,5-diene is CC(C)=C(C)CC(C)=C(C)C.
What is the InChIKey of 2,3,5,6-tetramethylhepta-2,5-diene?
The InChIKey is XTPRHVLFCIIAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8(2)10(5)7-11(6)9(3)4/h7H2,1-6H3.
What are the key properties of 2,3,5,6-tetramethylhepta-2,5-diene?
2,3,5,6-tetramethylhepta-2,5-diene has a molecular weight of 152.28 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylhepta-2,5-diene is sourced from PubChem (CID 18683698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).