[9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate

C14H25NO3 — CID 91327925

IUPAC[9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate
SMILESCC(=O)OC(C)C(C)CC=CCCC(=O)N(C)C
InChIInChI=1S/C14H25NO3/c1-11(12(2)18-13(3)16)9-7-6-8-10-14(17)15(4)5/h6-7,11-12H,8-10H2,1-5H3
InChIKeyPLLOBNBDGWQIOZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.39
Rot. Bonds7

About [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate

[9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate (PubChem CID 91327925) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate.

Molecular Properties

Compound Name[9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate
PubChem CID91327925
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate
SMILESCC(=O)OC(C)C(C)CC=CCCC(=O)N(C)C
InChIInChI=1S/C14H25NO3/c1-11(12(2)18-13(3)16)9-7-6-8-10-14(17)15(4)5/h6-7,11-12H,8-10H2,1-5H3
InChIKeyPLLOBNBDGWQIOZ-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylnon-5-en-2-yl acetate
CID 91134624
10-acetyloxy-9-methylundec-6-enoic acid
CID 90786945
(E,9R,10S)-10-acetyloxy-9-methylundec-6-enoic acid
CID 90161273
(E)-N,N-dimethyloct-4-enamide
CID 13308679
(E)-N,N-dimethyldec-4-enamide
CID 13308680
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
N,N-dimethylpent-4-enamide
CID 13308678
[(E,3R,4R)-1-amino-4-methyl-2-[methyl(3-methylbutanoyl)amino]-1-oxooct-6-en-3-yl] acetate
CID 90430056
ethyl 6-acetyloxy-5-methylheptanoate
CID 91156988
[(E,2S,5R)-5-(diethylamino)hex-3-en-2-yl] acetate
CID 131888386
3-methylheptan-2-yl acetate
CID 91461140
[(E)-6-methylhept-3-en-2-yl] acetate
CID 135085622

Frequently Asked Questions

What is the IUPAC name of [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate?
The IUPAC name of [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate (CID 91327925) is [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate.
What is the SMILES notation for [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate?
The canonical SMILES for [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate is CC(=O)OC(C)C(C)CC=CCCC(=O)N(C)C.
What is the InChIKey of [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate?
The InChIKey is PLLOBNBDGWQIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(12(2)18-13(3)16)9-7-6-8-10-14(17)15(4)5/h6-7,11-12H,8-10H2,1-5H3.
What are the key properties of [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate?
[9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate has a molecular weight of 255.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(dimethylamino)-3-methyl-9-oxonon-5-en-2-yl] acetate is sourced from PubChem (CID 91327925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).