(6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide

C34H59NO3 — CID 145068963

About (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide

(6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide (PubChem CID 145068963) has the molecular formula C34H59NO3 and a molecular weight of 529.85 g/mol. Its IUPAC name is (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide.

Molecular Properties

• Compound Name: (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide
• PubChem CID: 145068963
• Molecular Formula: C34H59NO3
• Molecular Weight: 529.85 g/mol
• Exact Mass: 529.45
• IUPAC Name: (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide
• SMILES: C=C1CCCC/C1=C/C=C1\CCCC2(C)C1CCC2[C@H](C)CCCC(C)(C)O.CC(C)C(=O)NCCCO
• InChI: InChI=1S/C27H44O.C7H15NO2/c1-20-10-6-7-12-22(20)14-15-23-13-9-19-27(5)24(16-17-25(23)27)21(2)11-8-18-26(3,4)28;1-6(2)7(10)8-4-3-5-9/h14-15,21,24-25,28H,1,6-13,16-19H2,2-5H3;6,9H,3-5H2,1-2H3,(H,8,10)/b22-14-,23-15+;/t21-,24?,25?,27?;/m1./s1
• InChIKey: HYLNKIJIAFTJCJ-FZQQFXIQSA-N
• XLogP: 7.90
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.85
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide?

The IUPAC name of (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide (CID 145068963) is (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide.

What is the SMILES notation for (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide?

The canonical SMILES for (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide is C=C1CCCC/C1=C/C=C1\CCCC2(C)C1CCC2[C@H](C)CCCC(C)(C)O.CC(C)C(=O)NCCCO.

What is the InChIKey of (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide?

The InChIKey is HYLNKIJIAFTJCJ-FZQQFXIQSA-N. The full InChI is InChI=1S/C27H44O.C7H15NO2/c1-20-10-6-7-12-22(20)14-15-23-13-9-19-27(5)24(16-17-25(23)27)21(2)11-8-18-26(3,4)28;1-6(2)7(10)8-4-3-5-9/h14-15,21,24-25,28H,1,6-13,16-19H2,2-5H3;6,9H,3-5H2,1-2H3,(H,8,10)/b22-14-,23-15+;/t21-,24?,25?,27?;/m1./s1.

What are the key properties of (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide?

(6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide has a molecular weight of 529.85 g/mol, XLogP of 7.90, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;N-(3-hydroxypropyl)-2-methylpropanamide is sourced from PubChem (CID 145068963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).