(6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one

C19H32O2 — CID 58571239

IUPAC(6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one
SMILESCCC1(C)CCC/C=C\CCCC(C)(C(C)=O)CCC1=O
InChIInChI=1S/C19H32O2/c1-5-18(3)13-10-8-6-7-9-11-14-19(4,16(2)20)15-12-17(18)21/h6-7H,5,8-15H2,1-4H3/b7-6-
InChIKeyAWWGLABATQFFEK-SREVYHEPSA-N
MW292.46 g/mol
LogP5.26
Rot. Bonds2

About (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one

(6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one (PubChem CID 58571239) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one.

Molecular Properties

Compound Name(6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one
PubChem CID58571239
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one
SMILESCCC1(C)CCC/C=C\CCCC(C)(C(C)=O)CCC1=O
InChIInChI=1S/C19H32O2/c1-5-18(3)13-10-8-6-7-9-11-14-19(4,16(2)20)15-12-17(18)21/h6-7H,5,8-15H2,1-4H3/b7-6-
InChIKeyAWWGLABATQFFEK-SREVYHEPSA-N
XLogP5.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one 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

(6R,10S)-6-acetyl-10-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[12.2.1]heptadeca-14(17),15-dien-9-one
CID 58427260
(6S,10R)-10-acetyl-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[12.2.1]heptadeca-14(17),15-dien-7-one
CID 58427240
2-ethyl-2-methylcyclooctane-1,5-dione
CID 141347991
(6S,10R)-10-(2-aminoacetyl)-6-ethyl-6,10-dimethyl-1,15,16-triazabicyclo[11.3.0]hexadeca-13,15-dien-7-one
CID 160626014
butan-2-one;3,3-dimethylcyclohexene;2,2-dimethylpropane;methane
CID 158843817
2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one
CID 10442347
cis-(7R,11R)-11-(2-aminoacetyl)-7,11-dimethyl-7-(3-oxobutyl)-1,5-dithiacyclododecan-8-one
CID 148928019
1-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 76962993
ethyl (3E,11E)-1-methyl-15-oxocyclopentadeca-3,11-diene-1-carboxylate
CID 131722424
(3Z,8R,12R)-12-(2-aminoacetyl)-8,12-dimethyl-8-(3-oxobutyl)-1,6-dithiacyclotridec-3-en-9-one
CID 148533327
benzyl 4-ethyl-4-methyl-5-oxoazocane-1-carboxylate
CID 122548069

Frequently Asked Questions

What is the IUPAC name of (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one?
The IUPAC name of (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one (CID 58571239) is (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one.
What is the SMILES notation for (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one?
The canonical SMILES for (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one is CCC1(C)CCC/C=C\CCCC(C)(C(C)=O)CCC1=O.
What is the InChIKey of (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one?
The InChIKey is AWWGLABATQFFEK-SREVYHEPSA-N. The full InChI is InChI=1S/C19H32O2/c1-5-18(3)13-10-8-6-7-9-11-14-19(4,16(2)20)15-12-17(18)21/h6-7H,5,8-15H2,1-4H3/b7-6-.
What are the key properties of (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one?
(6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one has a molecular weight of 292.46 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one is sourced from PubChem (CID 58571239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).