3,4,5-trimethylocta-2,4-diene

C11H20 — CID 54130832

IUPAC3,4,5-trimethylocta-2,4-diene
SMILESCC=C(C)C(C)=C(C)CCC
InChIInChI=1S/C11H20/c1-6-8-10(4)11(5)9(3)7-2/h7H,6,8H2,1-5H3
InChIKeyJJFGCDBHEMKCGF-UHFFFAOYSA-N
MW152.28 g/mol
LogP4.09
Rot. Bonds3

About 3,4,5-trimethylocta-2,4-diene

3,4,5-trimethylocta-2,4-diene (PubChem CID 54130832) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,4,5-trimethylocta-2,4-diene.

Molecular Properties

Compound Name3,4,5-trimethylocta-2,4-diene
PubChem CID54130832
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,4,5-trimethylocta-2,4-diene
SMILESCC=C(C)C(C)=C(C)CCC
InChIInChI=1S/C11H20/c1-6-8-10(4)11(5)9(3)7-2/h7H,6,8H2,1-5H3
InChIKeyJJFGCDBHEMKCGF-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine
CID 145174387
(E)-4,5-dimethyloct-4-ene
CID 12714364
(Z)-5,6-dimethylnon-5-en-4-one
CID 176967590
3,5-dimethylocta-2,4-dien-4-ylcyclopropane
CID 123400158
6,7-dimethyldeca-2,6-diene
CID 91199113
methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
CID 144531005
2,3-dimethylhex-2-ene;ethane
CID 144601748
(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene
CID 5466616
1-iodo-2-methylpent-1-ene
CID 73232688
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
5-methyloct-4-en-4-amine
CID 176900512

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylocta-2,4-diene?
The IUPAC name of 3,4,5-trimethylocta-2,4-diene (CID 54130832) is 3,4,5-trimethylocta-2,4-diene.
What is the SMILES notation for 3,4,5-trimethylocta-2,4-diene?
The canonical SMILES for 3,4,5-trimethylocta-2,4-diene is CC=C(C)C(C)=C(C)CCC.
What is the InChIKey of 3,4,5-trimethylocta-2,4-diene?
The InChIKey is JJFGCDBHEMKCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-6-8-10(4)11(5)9(3)7-2/h7H,6,8H2,1-5H3.
What are the key properties of 3,4,5-trimethylocta-2,4-diene?
3,4,5-trimethylocta-2,4-diene has a molecular weight of 152.28 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylocta-2,4-diene is sourced from PubChem (CID 54130832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).