8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one

C12H23NO3 — CID 151304994

IUPAC8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one
SMILESC=CC(=O)CC(CCCN(C)C)(OC)OC
InChIInChI=1S/C12H23NO3/c1-6-11(14)10-12(15-4,16-5)8-7-9-13(2)3/h6H,1,7-10H2,2-5H3
InChIKeyODFDADXNZHYFGH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.46
Rot. Bonds9

About 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one

8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one (PubChem CID 151304994) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one
PubChem CID151304994
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one
SMILESC=CC(=O)CC(CCCN(C)C)(OC)OC
InChIInChI=1S/C12H23NO3/c1-6-11(14)10-12(15-4,16-5)8-7-9-13(2)3/h6H,1,7-10H2,2-5H3
InChIKeyODFDADXNZHYFGH-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5,5,5-trimethoxypent-1-en-3-one
CID 150427628
27-(dimethylamino)heptacos-1-en-3-one
CID 139647791
[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate
CID 139716915
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
5,5-bis(2-aminoethoxy)nona-1,8-diene-3,7-dione
CID 88599703
(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
CID 17027005
2,2-bis[3-(dimethylamino)propyl]butanediamide
CID 175305389
5,5,5-trifluoropent-1-en-3-one
CID 12622108
methyl 5-(dimethylamino)pentaneperoxoate
CID 170358053
5-amino-5-hydroxyhex-1-en-3-one
CID 87129964
3-methoxyhexan-3-yl prop-2-enoate
CID 118937172
1-(dimethylamino)-5,5-difluoroheptan-4-one
CID 158665123

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one?
The IUPAC name of 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one (CID 151304994) is 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one.
What is the SMILES notation for 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one?
The canonical SMILES for 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one is C=CC(=O)CC(CCCN(C)C)(OC)OC.
What is the InChIKey of 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one?
The InChIKey is ODFDADXNZHYFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-11(14)10-12(15-4,16-5)8-7-9-13(2)3/h6H,1,7-10H2,2-5H3.
What are the key properties of 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one?
8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one has a molecular weight of 229.32 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one is sourced from PubChem (CID 151304994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).