trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol

C24H37NO2 — CID 143056420

About trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol

trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol (PubChem CID 143056420) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol
• PubChem CID: 143056420
• Molecular Formula: C24H37NO2
• Molecular Weight: 371.57 g/mol
• Exact Mass: 371.28
• IUPAC Name: trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol
• SMILES: C=C1[C@H](O)C/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)CCC)CC[C@@H]23)C[C@H]1N=O
• InChI: InChI=1S/C24H37NO2/c1-5-7-16(2)20-11-12-21-19(8-6-13-24(20,21)4)10-9-18-14-22(25-27)17(3)23(26)15-18/h9-10,16,20-23,26H,3,5-8,11-15H2,1-2,4H3/b18-9-,19-10+/t16-,20?,21-,22+,23+,24+/m0/s1
• InChIKey: QCRDZVUZQQMGTL-FBOYTWMASA-N
• XLogP: 6.34
• TPSA: 49.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.57
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol?

The IUPAC name of trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol (CID 143056420) is trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol.

What is the SMILES notation for trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol?

The canonical SMILES for trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol is C=C1[C@H](O)C/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)CCC)CC[C@@H]23)C[C@H]1N=O.

What is the InChIKey of trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol?

The InChIKey is QCRDZVUZQQMGTL-FBOYTWMASA-N. The full InChI is InChI=1S/C24H37NO2/c1-5-7-16(2)20-11-12-21-19(8-6-13-24(20,21)4)10-9-18-14-22(25-27)17(3)23(26)15-18/h9-10,16,20-23,26H,3,5-8,11-15H2,1-2,4H3/b18-9-,19-10+/t16-,20?,21-,22+,23+,24+/m0/s1.

What are the key properties of trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol?

trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol has a molecular weight of 371.57 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2S)-pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-nitrosocyclohexan-1-ol is sourced from PubChem (CID 143056420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).