N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide

C12H19NO — CID 91304692

IUPACN-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide
SMILESC=CC(C)(C)C=CC=C(C)NC(C)=O
InChIInChI=1S/C12H19NO/c1-6-12(4,5)9-7-8-10(2)13-11(3)14/h6-9H,1H2,2-5H3,(H,13,14)
InChIKeyOFRBWMYYAXOFBL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.79
Rot. Bonds4

About N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide

N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide (PubChem CID 91304692) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide.

Molecular Properties

Compound NameN-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide
PubChem CID91304692
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide
SMILESC=CC(C)(C)C=CC=C(C)NC(C)=O
InChIInChI=1S/C12H19NO/c1-6-12(4,5)9-7-8-10(2)13-11(3)14/h6-9H,1H2,2-5H3,(H,13,14)
InChIKeyOFRBWMYYAXOFBL-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide?
The IUPAC name of N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide (CID 91304692) is N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide.
What is the SMILES notation for N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide?
The canonical SMILES for N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide is C=CC(C)(C)C=CC=C(C)NC(C)=O.
What is the InChIKey of N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide?
The InChIKey is OFRBWMYYAXOFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-6-12(4,5)9-7-8-10(2)13-11(3)14/h6-9H,1H2,2-5H3,(H,13,14).
What are the key properties of N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide?
N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide has a molecular weight of 193.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide is sourced from PubChem (CID 91304692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).