(5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C120H184O14S2 — CID 161498201

About (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

(5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 161498201) has the molecular formula C120H184O14S2 and a molecular weight of 1914.91 g/mol. Its IUPAC name is (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

• Compound Name: (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
• PubChem CID: 161498201
• Molecular Formula: C120H184O14S2
• Molecular Weight: 1914.91 g/mol
• Exact Mass: 1913.31
• IUPAC Name: (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
• SMILES: C=C(C)[C@H]1CC(=O)C(C)=C(Sc2ccccc2)C1.CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@@H]1CC=C(C)C(=O)C1.CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1CC=C(C)C(=O)C1.CC1=CC[C@@H](C(C)(C)O)CC1=O.CC1=CC[C@@H](C(C)(C)O)C[C@@H]1O.CCC(CO)[C@@H]1CC=C(C)C(=O)C1.CCCC(CSc1ccccc1)[C@@H]1CC=C(C)C(=O)C1.CCCCCC(C)(CO)[C@@H]1CC=C(C)C(=O)C1
• InChI: InChI=1S/2C20H32O2.C18H24OS.C16H18OS.C15H26O2.C11H18O2.C10H18O2.C10H16O2/c2*1-15(2)8-6-9-16(3)10-7-13-20(5,22)18-12-11-17(4)19(21)14-18;1-3-7-16(13-20-17-8-5-4-6-9-17)15-11-10-14(2)18(19)12-15;1-11(2)13-9-15(17)12(3)16(10-13)18-14-7-5-4-6-8-14;1-4-5-6-9-15(3,11-16)13-8-7-12(2)14(17)10-13;1-3-9(7-12)10-5-4-8(2)11(13)6-10;2*1-7-4-5-8(6-9(7)11)10(2,3)12/h2*8,10-11,18,22H,6-7,9,12-14H2,1-5H3;4-6,8-10,15-16H,3,7,11-13H2,1-2H3;4-8,13H,1,9-10H2,2-3H3;7,13,16H,4-6,8-11H2,1-3H3;4,9-10,12H,3,5-7H2,1-2H3;4,8-9,11-12H,5-6H2,1-3H3;4,8,12H,5-6H2,1-3H3/b2*16-10+;;;;;;/t18-,20+;18-,20-;15-,16?;13-;13-,15?;9?,10-;8-,9+;8-/m11101111/s1
• InChIKey: WGMLPPXMAPSSRD-XXUNDGQRSA-N
• XLogP: 28.58
• TPSA: 261.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 34
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.91
LogP ≤ 5	28.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?

The IUPAC name of (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 161498201) is (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

What is the SMILES notation for (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?

The canonical SMILES for (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)[C@H]1CC(=O)C(C)=C(Sc2ccccc2)C1.CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@@H]1CC=C(C)C(=O)C1.CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1CC=C(C)C(=O)C1.CC1=CC[C@@H](C(C)(C)O)CC1=O.CC1=CC[C@@H](C(C)(C)O)C[C@@H]1O.CCC(CO)[C@@H]1CC=C(C)C(=O)C1.CCCC(CSc1ccccc1)[C@@H]1CC=C(C)C(=O)C1.CCCCCC(C)(CO)[C@@H]1CC=C(C)C(=O)C1.

What is the InChIKey of (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?

The InChIKey is WGMLPPXMAPSSRD-XXUNDGQRSA-N. The full InChI is InChI=1S/2C20H32O2.C18H24OS.C16H18OS.C15H26O2.C11H18O2.C10H18O2.C10H16O2/c2*1-15(2)8-6-9-16(3)10-7-13-20(5,22)18-12-11-17(4)19(21)14-18;1-3-7-16(13-20-17-8-5-4-6-9-17)15-11-10-14(2)18(19)12-15;1-11(2)13-9-15(17)12(3)16(10-13)18-14-7-5-4-6-8-14;1-4-5-6-9-15(3,11-16)13-8-7-12(2)14(17)10-13;1-3-9(7-12)10-5-4-8(2)11(13)6-10;2*1-7-4-5-8(6-9(7)11)10(2,3)12/h2*8,10-11,18,22H,6-7,9,12-14H2,1-5H3;4-6,8-10,15-16H,3,7,11-13H2,1-2H3;4-8,13H,1,9-10H2,2-3H3;7,13,16H,4-6,8-11H2,1-3H3;4,9-10,12H,3,5-7H2,1-2H3;4,8-9,11-12H,5-6H2,1-3H3;4,8,12H,5-6H2,1-3H3/b2*16-10+;;;;;;/t18-,20+;18-,20-;15-,16?;13-;13-,15?;9?,10-;8-,9+;8-/m11101111/s1.

What are the key properties of (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?

(5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 1914.91 g/mol, XLogP of 28.58, 34 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(1-hydroxybutan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one;(5R)-5-(1-hydroxy-2-methylheptan-2-yl)-2-methylcyclohex-2-en-1-one;(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol;(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one;(5R)-2-methyl-5-(1-phenylsulfanylpentan-2-yl)cyclohex-2-en-1-one;(5S)-2-methyl-3-phenylsulfanyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 161498201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).