(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol

C38H74O6Si2 — CID 101372673

About (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol (PubChem CID 101372673) has the molecular formula C38H74O6Si2 and a molecular weight of 683.18 g/mol. Its IUPAC name is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol.

Molecular Properties

• Compound Name: (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol
• PubChem CID: 101372673
• Molecular Formula: C38H74O6Si2
• Molecular Weight: 683.18 g/mol
• Exact Mass: 682.50
• IUPAC Name: (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol
• SMILES: C=C1CC[C@H](OC(C)(C)C)[C@@](C)(C[C@H](OCOC)[C@@]2(O)C(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)CC2(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C38H74O6Si2/c1-27-20-21-31(43-33(3,4)5)37(14,30(27)25-42-45(16,17)34(6,7)8)24-32(41-26-40-15)38(39)28(2)22-29(23-36(38,12)13)44-46(18,19)35(9,10)11/h22,29-32,39H,1,20-21,23-26H2,2-19H3/t29-,30+,31+,32+,37+,38+/m1/s1
• InChIKey: ONCQRIPVPYTOQY-XHKKXJOCSA-N
• XLogP: 10.04
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.18
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol?

The IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol (CID 101372673) is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol.

What is the SMILES notation for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol?

The canonical SMILES for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol is C=C1CC[C@H](OC(C)(C)C)[C@@](C)(C[C@H](OCOC)[C@@]2(O)C(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)CC2(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol?

The InChIKey is ONCQRIPVPYTOQY-XHKKXJOCSA-N. The full InChI is InChI=1S/C38H74O6Si2/c1-27-20-21-31(43-33(3,4)5)37(14,30(27)25-42-45(16,17)34(6,7)8)24-32(41-26-40-15)38(39)28(2)22-29(23-36(38,12)13)44-46(18,19)35(9,10)11/h22,29-32,39H,1,20-21,23-26H2,2-19H3/t29-,30+,31+,32+,37+,38+/m1/s1.

What are the key properties of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol?

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol has a molecular weight of 683.18 g/mol, XLogP of 10.04, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 101372673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).