bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one

C97H160O10 — CID 159177026

IUPACbis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(CC(C)C)C1.CCC1CC(=O)C=C(C)C1.CCC1CC(C)=CC(O)C1.CCC1CC(C)=CC(OC(C)=O)C1.CCCC1CC(=O)C=C(C)C1.CCCCC1CC(=O)C=C(C)C1.CCCCC1CC(=O)C=C(C)C1.CCCCCC1CC(=O)C=C(C)C1.CCCCCCC1CC(=O)C=C(C)C1
InChIInChI=1S/C13H22O.C12H20O.C11H18O2.3C11H18O.C10H16O.C9H16O.C9H14O/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12;1-3-4-5-6-11-7-10(2)8-12(13)9-11;1-4-10-5-8(2)6-11(7-10)13-9(3)12;1-8(2)4-10-5-9(3)6-11(12)7-10;2*1-3-4-5-10-6-9(2)7-11(12)8-10;1-3-4-9-5-8(2)6-10(11)7-9;2*1-3-8-4-7(2)5-9(10)6-8/h9,12H,3-8,10H2,1-2H3;8,11H,3-7,9H2,1-2H3;6,10-11H,4-5,7H2,1-3H3;6,8,10H,4-5,7H2,1-3H3;2*7,10H,3-6,8H2,1-2H3;6,9H,3-5,7H2,1-2H3;5,8-10H,3-4,6H2,1-2H3;5,8H,3-4,6H2,1-2H3
InChIKeyKMKHUEYIAUQWJC-UHFFFAOYSA-N
MW1486.34 g/mol
LogP26.37
Rot. Bonds23

About bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one

bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one (PubChem CID 159177026) has the molecular formula C97H160O10 and a molecular weight of 1486.34 g/mol. Its IUPAC name is bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Namebis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one
PubChem CID159177026
Molecular FormulaC97H160O10
Molecular Weight1486.34 g/mol
Exact Mass1485.20
IUPAC Namebis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(CC(C)C)C1.CCC1CC(=O)C=C(C)C1.CCC1CC(C)=CC(O)C1.CCC1CC(C)=CC(OC(C)=O)C1.CCCC1CC(=O)C=C(C)C1.CCCCC1CC(=O)C=C(C)C1.CCCCC1CC(=O)C=C(C)C1.CCCCCC1CC(=O)C=C(C)C1.CCCCCCC1CC(=O)C=C(C)C1
InChIInChI=1S/C13H22O.C12H20O.C11H18O2.3C11H18O.C10H16O.C9H16O.C9H14O/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12;1-3-4-5-6-11-7-10(2)8-12(13)9-11;1-4-10-5-8(2)6-11(7-10)13-9(3)12;1-8(2)4-10-5-9(3)6-11(12)7-10;2*1-3-4-5-10-6-9(2)7-11(12)8-10;1-3-4-9-5-8(2)6-10(11)7-9;2*1-3-8-4-7(2)5-9(10)6-8/h9,12H,3-8,10H2,1-2H3;8,11H,3-7,9H2,1-2H3;6,10-11H,4-5,7H2,1-3H3;6,8,10H,4-5,7H2,1-3H3;2*7,10H,3-6,8H2,1-2H3;6,9H,3-5,7H2,1-2H3;5,8-10H,3-4,6H2,1-2H3;5,8H,3-4,6H2,1-2H3
InChIKeyKMKHUEYIAUQWJC-UHFFFAOYSA-N
XLogP26.37
TPSA166.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.34
LogP ≤ 526.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-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

5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one
CID 161490680
5-butyl-3-methylcyclohex-2-en-1-ol;(5-butyl-3-methylcyclohex-2-en-1-yl) acetate
CID 159099614
(2S)-6-methyl-2-tridecyl-2,3-dihydropyran-4-one
CID 163108678
5-butyl-3-methylcyclohex-2-ene-1-carbaldehyde
CID 174746756
5-tridecylcyclohexane-1,3-dione
CID 71394051
5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one
CID 144623961
2-(2-hydroxytridecyl)-6-methyl-2,3-dihydropyran-4-one
CID 162818844
4-undecylcyclopentane-1,2-dione
CID 54303237
3,5-dimethylcyclohex-2-en-1-one;ethane;pentane
CID 144844935
[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
CID 70424694
6-butyl-2-hexyl-2,3-dihydropyran-4-one
CID 86057082
3-(2-methylpropyl)-5-propylcyclohexan-1-ol
CID 58534540

Frequently Asked Questions

What is the IUPAC name of bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one?
The IUPAC name of bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one (CID 159177026) is bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one.
What is the SMILES notation for bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one?
The canonical SMILES for bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one is CC1=CC(=O)CC(CC(C)C)C1.CCC1CC(=O)C=C(C)C1.CCC1CC(C)=CC(O)C1.CCC1CC(C)=CC(OC(C)=O)C1.CCCC1CC(=O)C=C(C)C1.CCCCC1CC(=O)C=C(C)C1.CCCCC1CC(=O)C=C(C)C1.CCCCCC1CC(=O)C=C(C)C1.CCCCCCC1CC(=O)C=C(C)C1.
What is the InChIKey of bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one?
The InChIKey is KMKHUEYIAUQWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O.C12H20O.C11H18O2.3C11H18O.C10H16O.C9H16O.C9H14O/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12;1-3-4-5-6-11-7-10(2)8-12(13)9-11;1-4-10-5-8(2)6-11(7-10)13-9(3)12;1-8(2)4-10-5-9(3)6-11(12)7-10;2*1-3-4-5-10-6-9(2)7-11(12)8-10;1-3-4-9-5-8(2)6-10(11)7-9;2*1-3-8-4-7(2)5-9(10)6-8/h9,12H,3-8,10H2,1-2H3;8,11H,3-7,9H2,1-2H3;6,10-11H,4-5,7H2,1-3H3;6,8,10H,4-5,7H2,1-3H3;2*7,10H,3-6,8H2,1-2H3;6,9H,3-5,7H2,1-2H3;5,8-10H,3-4,6H2,1-2H3;5,8H,3-4,6H2,1-2H3.
What are the key properties of bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one?
bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one has a molecular weight of 1486.34 g/mol, XLogP of 26.37, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one is sourced from PubChem (CID 159177026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).