2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione

C24H42O3 — CID 91048946

IUPAC2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione
SMILESCCC(CC)CC(C)=CCC(CC)(CC)C1C(=O)C(C)C(OC)C(=O)C1C
InChIInChI=1S/C24H42O3/c1-9-19(10-2)15-16(5)13-14-24(11-3,12-4)20-17(6)22(26)23(27-8)18(7)21(20)25/h13,17-20,23H,9-12,14-15H2,1-8H3
InChIKeyNPVTZNAGTSHAHX-UHFFFAOYSA-N
MW378.60 g/mol
LogP6.01
Rot. Bonds10

About 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione

2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione (PubChem CID 91048946) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione.

Molecular Properties

Compound Name2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione
PubChem CID91048946
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione
SMILESCCC(CC)CC(C)=CCC(CC)(CC)C1C(=O)C(C)C(OC)C(=O)C1C
InChIInChI=1S/C24H42O3/c1-9-19(10-2)15-16(5)13-14-24(11-3,12-4)20-17(6)22(26)23(27-8)18(7)21(20)25/h13,17-20,23H,9-12,14-15H2,1-8H3
InChIKeyNPVTZNAGTSHAHX-UHFFFAOYSA-N
XLogP6.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione with MolForge

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Related Compounds

Phomactin D
CID 10018799
5,9,12,13-Tetramethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadec-8-ene-16-carbaldehyde
CID 73073986
Virenscarotin C
CID 170989784
(1R,3S,5R,8E,12R,13R,16R)-3,5,9,12,13-pentamethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadec-8-ene-16-carbaldehyde
CID 134980372
4,6-Dimethyl-7-prop-1-enyl-1-prop-2-enylspiro[bicyclo[2.2.2]oct-5-ene-3,2'-oxirane]-2-one
CID 135023117
1-(2-butan-2-yl-5-hydroxy-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-hydroxypropan-1-one
CID 51136336
(1R,3S,5R,12S,13R,16S)-5,9,12,13-tetramethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadec-8-ene-16-carbaldehyde
CID 172014002
5-Hydroxy-3-(3-methylbutanoyl)-2,2-bis(3-methylbut-2-enyl)cyclohexane-1,4-dione
CID 57134428
3-(Cyclohexen-1-yl)-2-methoxy-4a,5-dimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
CID 58587091
3-[(E)-but-2-en-2-yl]-2-methoxy-4a,5-dimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
CID 58587109
3-[(E)-but-2-en-2-yl]-2-methoxy-4a,5-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 58587123
3-(Cyclohexen-1-yl)-2-methoxy-4a,5-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 58587133

Frequently Asked Questions

What is the IUPAC name of 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione?
The IUPAC name of 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione (CID 91048946) is 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione.
What is the SMILES notation for 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione?
The canonical SMILES for 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione is CCC(CC)CC(C)=CCC(CC)(CC)C1C(=O)C(C)C(OC)C(=O)C1C.
What is the InChIKey of 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione?
The InChIKey is NPVTZNAGTSHAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-9-19(10-2)15-16(5)13-14-24(11-3,12-4)20-17(6)22(26)23(27-8)18(7)21(20)25/h13,17-20,23H,9-12,14-15H2,1-8H3.
What are the key properties of 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione?
2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione has a molecular weight of 378.60 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-diethyl-6-methyldec-5-en-3-yl)-5-methoxy-3,6-dimethylcyclohexane-1,4-dione is sourced from PubChem (CID 91048946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).