(E,3S,4R)-3,4-dimethyloct-6-enamide

C10H19NO — CID 89087152

IUPAC(E,3S,4R)-3,4-dimethyloct-6-enamide
SMILESC/C=C/C[C@@H](C)[C@@H](C)CC(N)=O
InChIInChI=1S/C10H19NO/c1-4-5-6-8(2)9(3)7-10(11)12/h4-5,8-9H,6-7H2,1-3H3,(H2,11,12)/b5-4+/t8-,9+/m1/s1
InChIKeyZXNGQFYAVFJCJD-VJIGKBMESA-N
MW169.27 g/mol
LogP2.10
Rot. Bonds5

About (E,3S,4R)-3,4-dimethyloct-6-enamide

(E,3S,4R)-3,4-dimethyloct-6-enamide (PubChem CID 89087152) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E,3S,4R)-3,4-dimethyloct-6-enamide.

Molecular Properties

Compound Name(E,3S,4R)-3,4-dimethyloct-6-enamide
PubChem CID89087152
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E,3S,4R)-3,4-dimethyloct-6-enamide
SMILESC/C=C/C[C@@H](C)[C@@H](C)CC(N)=O
InChIInChI=1S/C10H19NO/c1-4-5-6-8(2)9(3)7-10(11)12/h4-5,8-9H,6-7H2,1-3H3,(H2,11,12)/b5-4+/t8-,9+/m1/s1
InChIKeyZXNGQFYAVFJCJD-VJIGKBMESA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-N,3,4-trimethyloct-6-enamide
CID 144600492
(E)-2-methylhex-4-enamide
CID 126589197
[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate
CID 6366382
(E)-3-hydroxy-4-methyloct-6-enoic acid
CID 87602853
(E)-2-[(E)-but-2-enyl]-3-methylhept-5-enoic acid
CID 20820807
4-hydroxy-3-methylpentanamide
CID 21402958
(E)-3-hydroxyhex-4-enamide
CID 11083908
(E,2S,3R,4R)-2-amino-3-hydroxy-4-methyloct-6-enoic acid
CID 5282047
4-methyloct-6-en-2-one
CID 54170853
(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol
CID 163757336
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
[(1E,6E)-3,4-dimethylocta-1,6-dienyl] propanoate
CID 101283062

Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-3,4-dimethyloct-6-enamide?
The IUPAC name of (E,3S,4R)-3,4-dimethyloct-6-enamide (CID 89087152) is (E,3S,4R)-3,4-dimethyloct-6-enamide.
What is the SMILES notation for (E,3S,4R)-3,4-dimethyloct-6-enamide?
The canonical SMILES for (E,3S,4R)-3,4-dimethyloct-6-enamide is C/C=C/C[C@@H](C)[C@@H](C)CC(N)=O.
What is the InChIKey of (E,3S,4R)-3,4-dimethyloct-6-enamide?
The InChIKey is ZXNGQFYAVFJCJD-VJIGKBMESA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-8(2)9(3)7-10(11)12/h4-5,8-9H,6-7H2,1-3H3,(H2,11,12)/b5-4+/t8-,9+/m1/s1.
What are the key properties of (E,3S,4R)-3,4-dimethyloct-6-enamide?
(E,3S,4R)-3,4-dimethyloct-6-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-3,4-dimethyloct-6-enamide is sourced from PubChem (CID 89087152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).