(3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde

C33H66O4Si3 — CID 134945193

About (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde

(3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde (PubChem CID 134945193) has the molecular formula C33H66O4Si3 and a molecular weight of 611.15 g/mol. Its IUPAC name is (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde.

Molecular Properties

• Compound Name: (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
• PubChem CID: 134945193
• Molecular Formula: C33H66O4Si3
• Molecular Weight: 611.15 g/mol
• Exact Mass: 610.43
• IUPAC Name: (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
• SMILES: CC1=C(C=O)[C@@]2(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C33H66O4Si3/c1-24-25(22-34)32(11)20-19-28(37-40(17,18)31(8,9)10)33(12,23-35-38(13,14)29(2,3)4)27(32)21-26(24)36-39(15,16)30(5,6)7/h22,26-28H,19-21,23H2,1-18H3/t26-,27+,28-,32+,33?/m0/s1
• InChIKey: JSDFMWVLFVXFSF-MUYLMLJCSA-N
• XLogP: 10.13
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.15
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?

The IUPAC name of (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde (CID 134945193) is (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde.

What is the SMILES notation for (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?

The canonical SMILES for (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde is CC1=C(C=O)[C@@]2(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?

The InChIKey is JSDFMWVLFVXFSF-MUYLMLJCSA-N. The full InChI is InChI=1S/C33H66O4Si3/c1-24-25(22-34)32(11)20-19-28(37-40(17,18)31(8,9)10)33(12,23-35-38(13,14)29(2,3)4)27(32)21-26(24)36-39(15,16)30(5,6)7/h22,26-28H,19-21,23H2,1-18H3/t26-,27+,28-,32+,33?/m0/s1.

What are the key properties of (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?

(3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde has a molecular weight of 611.15 g/mol, XLogP of 10.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 134945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).