(E,3S)-N,N,3,7-tetramethyloct-4-enamide

C12H23NO — CID 88796659

IUPAC(E,3S)-N,N,3,7-tetramethyloct-4-enamide
SMILESCC(C)C/C=C/[C@@H](C)CC(=O)N(C)C
InChIInChI=1S/C12H23NO/c1-10(2)7-6-8-11(3)9-12(14)13(4)5/h6,8,10-11H,7,9H2,1-5H3/b8-6+/t11-/m1/s1
InChIKeyKVKSBBSIAKBAGH-LXSSAFMLSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds5

About (E,3S)-N,N,3,7-tetramethyloct-4-enamide

(E,3S)-N,N,3,7-tetramethyloct-4-enamide (PubChem CID 88796659) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E,3S)-N,N,3,7-tetramethyloct-4-enamide.

Molecular Properties

Compound Name(E,3S)-N,N,3,7-tetramethyloct-4-enamide
PubChem CID88796659
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E,3S)-N,N,3,7-tetramethyloct-4-enamide
SMILESCC(C)C/C=C/[C@@H](C)CC(=O)N(C)C
InChIInChI=1S/C12H23NO/c1-10(2)7-6-8-11(3)9-12(14)13(4)5/h6,8,10-11H,7,9H2,1-5H3/b8-6+/t11-/m1/s1
InChIKeyKVKSBBSIAKBAGH-LXSSAFMLSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3S)-N,N,3,7-tetramethyloct-4-enamide?
The IUPAC name of (E,3S)-N,N,3,7-tetramethyloct-4-enamide (CID 88796659) is (E,3S)-N,N,3,7-tetramethyloct-4-enamide.
What is the SMILES notation for (E,3S)-N,N,3,7-tetramethyloct-4-enamide?
The canonical SMILES for (E,3S)-N,N,3,7-tetramethyloct-4-enamide is CC(C)C/C=C/[C@@H](C)CC(=O)N(C)C.
What is the InChIKey of (E,3S)-N,N,3,7-tetramethyloct-4-enamide?
The InChIKey is KVKSBBSIAKBAGH-LXSSAFMLSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)7-6-8-11(3)9-12(14)13(4)5/h6,8,10-11H,7,9H2,1-5H3/b8-6+/t11-/m1/s1.
What are the key properties of (E,3S)-N,N,3,7-tetramethyloct-4-enamide?
(E,3S)-N,N,3,7-tetramethyloct-4-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-N,N,3,7-tetramethyloct-4-enamide is sourced from PubChem (CID 88796659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).