2,3,6,7-tetramethylocta-2,6-dien-4-ynamide

C12H17NO — CID 59970557

IUPAC2,3,6,7-tetramethylocta-2,6-dien-4-ynamide
SMILESCC(C)=C(C)C#CC(C)=C(C)C(N)=O
InChIInChI=1S/C12H17NO/c1-8(2)9(3)6-7-10(4)11(5)12(13)14/h1-5H3,(H2,13,14)
InChIKeyGKAKIYGKBPYDRL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.17
Rot. Bonds1

About 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide

2,3,6,7-tetramethylocta-2,6-dien-4-ynamide (PubChem CID 59970557) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide.

Molecular Properties

Compound Name2,3,6,7-tetramethylocta-2,6-dien-4-ynamide
PubChem CID59970557
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,3,6,7-tetramethylocta-2,6-dien-4-ynamide
SMILESCC(C)=C(C)C#CC(C)=C(C)C(N)=O
InChIInChI=1S/C12H17NO/c1-8(2)9(3)6-7-10(4)11(5)12(13)14/h1-5H3,(H2,13,14)
InChIKeyGKAKIYGKBPYDRL-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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acetamide
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(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide
CID 90151676
3,3-dihydrazinyl-2-methylprop-2-enamide
CID 163555683
4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide
CID 22023492
3-(dimethylamino)-2-methylbut-2-enamide
CID 140503837
(E)-3-methoxy-2-methylbut-2-enamide
CID 55284643
acetamide;titanium
CID 159756610
acetamide;bismuthane
CID 174469104
acetamide;alumane
CID 174673000

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide?
The IUPAC name of 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide (CID 59970557) is 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide.
What is the SMILES notation for 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide?
The canonical SMILES for 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide is CC(C)=C(C)C#CC(C)=C(C)C(N)=O.
What is the InChIKey of 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide?
The InChIKey is GKAKIYGKBPYDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)9(3)6-7-10(4)11(5)12(13)14/h1-5H3,(H2,13,14).
What are the key properties of 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide?
2,3,6,7-tetramethylocta-2,6-dien-4-ynamide has a molecular weight of 191.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethylocta-2,6-dien-4-ynamide is sourced from PubChem (CID 59970557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).