4,4,5,6-tetramethylhepta-1,5-diene

C11H20 — CID 139263488

IUPAC4,4,5,6-tetramethylhepta-1,5-diene
SMILESC=CCC(C)(C)C(C)=C(C)C
InChIInChI=1S/C11H20/c1-7-8-11(5,6)10(4)9(2)3/h7H,1,8H2,2-6H3
InChIKeyLYLFRMMHTLRCNX-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds3

About 4,4,5,6-tetramethylhepta-1,5-diene

4,4,5,6-tetramethylhepta-1,5-diene (PubChem CID 139263488) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4,4,5,6-tetramethylhepta-1,5-diene.

Molecular Properties

Compound Name4,4,5,6-tetramethylhepta-1,5-diene
PubChem CID139263488
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4,4,5,6-tetramethylhepta-1,5-diene
SMILESC=CCC(C)(C)C(C)=C(C)C
InChIInChI=1S/C11H20/c1-7-8-11(5,6)10(4)9(2)3/h7H,1,8H2,2-6H3
InChIKeyLYLFRMMHTLRCNX-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
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

Humulene
CID 5281520
3,4,4-Trimethyl-2-pentene
CID 11738
beta-Humulene
CID 5318102
3,5,5-Trimethylcyclohexene
CID 79132
Cyclohexene, trimethyl-
CID 79032
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
7-Methyl-1,6-octadiene
CID 557579
3,5,5-Trimethyl-2-hexene
CID 5365055
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
3,3,5-Trimethylcyclohexene
CID 79031
4,4-Dimethyl-1-hexene
CID 137136
beta-Pyronene
CID 228342

Frequently Asked Questions

What is the IUPAC name of 4,4,5,6-tetramethylhepta-1,5-diene?
The IUPAC name of 4,4,5,6-tetramethylhepta-1,5-diene (CID 139263488) is 4,4,5,6-tetramethylhepta-1,5-diene.
What is the SMILES notation for 4,4,5,6-tetramethylhepta-1,5-diene?
The canonical SMILES for 4,4,5,6-tetramethylhepta-1,5-diene is C=CCC(C)(C)C(C)=C(C)C.
What is the InChIKey of 4,4,5,6-tetramethylhepta-1,5-diene?
The InChIKey is LYLFRMMHTLRCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-7-8-11(5,6)10(4)9(2)3/h7H,1,8H2,2-6H3.
What are the key properties of 4,4,5,6-tetramethylhepta-1,5-diene?
4,4,5,6-tetramethylhepta-1,5-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6-tetramethylhepta-1,5-diene is sourced from PubChem (CID 139263488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).