6,6-dimethoxy-2-methylhex-2-enamide

C9H17NO3 — CID 91543963

IUPAC6,6-dimethoxy-2-methylhex-2-enamide
SMILESCOC(CCC=C(C)C(N)=O)OC
InChIInChI=1S/C9H17NO3/c1-7(9(10)11)5-4-6-8(12-2)13-3/h5,8H,4,6H2,1-3H3,(H2,10,11)
InChIKeyHZNDHXWTMUMNEP-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.82
Rot. Bonds6

About 6,6-dimethoxy-2-methylhex-2-enamide

6,6-dimethoxy-2-methylhex-2-enamide (PubChem CID 91543963) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 6,6-dimethoxy-2-methylhex-2-enamide.

Molecular Properties

Compound Name6,6-dimethoxy-2-methylhex-2-enamide
PubChem CID91543963
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name6,6-dimethoxy-2-methylhex-2-enamide
SMILESCOC(CCC=C(C)C(N)=O)OC
InChIInChI=1S/C9H17NO3/c1-7(9(10)11)5-4-6-8(12-2)13-3/h5,8H,4,6H2,1-3H3,(H2,10,11)
InChIKeyHZNDHXWTMUMNEP-UHFFFAOYSA-N
XLogP0.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2-methylnon-2-enamide
CID 141320588
2-methylhex-2-enamide;hydrochloride
CID 141109029
(E)-2,11-dimethyldodec-2-enamide
CID 88624041
(E)-2,18-dimethylnonadec-2-enamide
CID 144939555
1,1-dimethoxy-8-methylnon-7-en-4-one
CID 13308241
6-amino-2-methylhex-2-enamide
CID 54113800
(5-amino-4-methyl-5-oxopent-3-enyl) butanoate
CID 135363249
2-methylhept-2-enamide;hydrate
CID 172812574
2-methylhex-2-enamide;propan-1-amine
CID 174435970
(E)-6-methoxy-2-methylhept-2-enoic acid
CID 22026595
6-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 54081309
2-methylpent-2-enamide
CID 66895957

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxy-2-methylhex-2-enamide?
The IUPAC name of 6,6-dimethoxy-2-methylhex-2-enamide (CID 91543963) is 6,6-dimethoxy-2-methylhex-2-enamide.
What is the SMILES notation for 6,6-dimethoxy-2-methylhex-2-enamide?
The canonical SMILES for 6,6-dimethoxy-2-methylhex-2-enamide is COC(CCC=C(C)C(N)=O)OC.
What is the InChIKey of 6,6-dimethoxy-2-methylhex-2-enamide?
The InChIKey is HZNDHXWTMUMNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(9(10)11)5-4-6-8(12-2)13-3/h5,8H,4,6H2,1-3H3,(H2,10,11).
What are the key properties of 6,6-dimethoxy-2-methylhex-2-enamide?
6,6-dimethoxy-2-methylhex-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-2-methylhex-2-enamide is sourced from PubChem (CID 91543963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).