(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane

C20H38Se2 — CID 11843401

About (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane

(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane (PubChem CID 11843401) has the molecular formula C20H38Se2 and a molecular weight of 436.44 g/mol. Its IUPAC name is (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane.

Molecular Properties

• Compound Name: (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
• PubChem CID: 11843401
• Molecular Formula: C20H38Se2
• Molecular Weight: 436.44 g/mol
• Exact Mass: 438.13
• IUPAC Name: (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
• SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[Se][Se][C@H]1C[C@H](C)CC[C@H]1C(C)C
• InChI: InChI=1S/C20H38Se2/c1-13(2)17-9-7-15(5)11-19(17)21-22-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3/t15-,16-,17+,18+,19+,20+/m1/s1
• InChIKey: VZCUXRISYZDEIR-MILMJNAHSA-N
• XLogP: 6.07
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane?

The IUPAC name of (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane (CID 11843401) is (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane.

What is the SMILES notation for (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane?

The canonical SMILES for (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[Se][Se][C@H]1C[C@H](C)CC[C@H]1C(C)C.

What is the InChIKey of (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane?

The InChIKey is VZCUXRISYZDEIR-MILMJNAHSA-N. The full InChI is InChI=1S/C20H38Se2/c1-13(2)17-9-7-15(5)11-19(17)21-22-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3/t15-,16-,17+,18+,19+,20+/m1/s1.

What are the key properties of (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane?

(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane has a molecular weight of 436.44 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 11843401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).