tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate

C34H66O7Si2 — CID 10817924

About tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate

tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate (PubChem CID 10817924) has the molecular formula C34H66O7Si2 and a molecular weight of 643.07 g/mol. Its IUPAC name is tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
• PubChem CID: 10817924
• Molecular Formula: C34H66O7Si2
• Molecular Weight: 643.07 g/mol
• Exact Mass: 642.43
• IUPAC Name: tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
• SMILES: C=C(C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](O[Si](CC)(CC)CC)C[C@H](CC(=O)OC(C)(C)C)O2)O1)[C@@H](C)CO
• InChI: InChI=1S/C34H66O7Si2/c1-13-42(14-2,15-3)40-30-20-28(21-31(36)39-32(9,10)11)37-34(23-30)25-33(12,41-43(16-4,17-5)18-6)22-29(38-34)19-26(7)27(8)24-35/h27-30,35H,7,13-25H2,1-6,8-12H3/t27-,28+,29-,30-,33-,34+/m0/s1
• InChIKey: YLJMZMUAQLUQIG-WYVZEZATSA-N
• XLogP: 8.52
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.07
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?

The IUPAC name of tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate (CID 10817924) is tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate.

What is the SMILES notation for tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?

The canonical SMILES for tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate is C=C(C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](O[Si](CC)(CC)CC)C[C@H](CC(=O)OC(C)(C)C)O2)O1)[C@@H](C)CO.

What is the InChIKey of tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?

The InChIKey is YLJMZMUAQLUQIG-WYVZEZATSA-N. The full InChI is InChI=1S/C34H66O7Si2/c1-13-42(14-2,15-3)40-30-20-28(21-31(36)39-32(9,10)11)37-34(23-30)25-33(12,41-43(16-4,17-5)18-6)22-29(38-34)19-26(7)27(8)24-35/h27-30,35H,7,13-25H2,1-6,8-12H3/t27-,28+,29-,30-,33-,34+/m0/s1.

What are the key properties of tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?

tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate has a molecular weight of 643.07 g/mol, XLogP of 8.52, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(2S,4S,6S,8R,10S)-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate is sourced from PubChem (CID 10817924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).