(2Z)-3,7-dimethylocta-2,6-dienamide

C10H17NO — CID 5380999

IUPAC(2Z)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C\C(N)=O
InChIInChI=1S/C10H17NO/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H2,11,12)/b9-7-
InChIKeyJJYIOZSRKCDLFJ-CLFYSBASSA-N
MW167.25 g/mol
LogP2.16
Rot. Bonds4

About (2Z)-3,7-dimethylocta-2,6-dienamide

(2Z)-3,7-dimethylocta-2,6-dienamide (PubChem CID 5380999) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z)-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2Z)-3,7-dimethylocta-2,6-dienamide
PubChem CID5380999
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C\C(N)=O
InChIInChI=1S/C10H17NO/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H2,11,12)/b9-7-
InChIKeyJJYIOZSRKCDLFJ-CLFYSBASSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of (2Z)-3,7-dimethylocta-2,6-dienamide (CID 5380999) is (2Z)-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for (2Z)-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for (2Z)-3,7-dimethylocta-2,6-dienamide is CC(C)=CCC/C(C)=C\C(N)=O.
What is the InChIKey of (2Z)-3,7-dimethylocta-2,6-dienamide?
The InChIKey is JJYIOZSRKCDLFJ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H2,11,12)/b9-7-.
What are the key properties of (2Z)-3,7-dimethylocta-2,6-dienamide?
(2Z)-3,7-dimethylocta-2,6-dienamide has a molecular weight of 167.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 5380999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).