(1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione

C29H48O6Si2 — CID 132849238

IUPAC(1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)[C@]12C(=O)O[C@H]3C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H]([C@H]31)[C@@]21C=C(C)C(=O)O1
InChIInChI=1S/C29H48O6Si2/c1-12-16-21(34-37(13-2,14-3)15-4)29-22-20(32-25(29)31)18-27(9,35-36(10,11)26(6,7)8)23(22)28(29)17-19(5)24(30)33-28/h12,17,20-23H,1,13-16,18H2,2-11H3/t20-,21+,22-,23-,27-,28-,29+/m0/s1
InChIKeyUIDOGNLZMLQMBH-VYFXARLLSA-N
MW548.87 g/mol
LogP6.54
Rot. Bonds10

About (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione

(1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione (PubChem CID 132849238) has the molecular formula C29H48O6Si2 and a molecular weight of 548.87 g/mol. Its IUPAC name is (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione.

Molecular Properties

Compound Name(1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione
PubChem CID132849238
Molecular FormulaC29H48O6Si2
Molecular Weight548.87 g/mol
Exact Mass548.30
IUPAC Name(1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)[C@]12C(=O)O[C@H]3C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H]([C@H]31)[C@@]21C=C(C)C(=O)O1
InChIInChI=1S/C29H48O6Si2/c1-12-16-21(34-37(13-2,14-3)15-4)29-22-20(32-25(29)31)18-27(9,35-36(10,11)26(6,7)8)23(22)28(29)17-19(5)24(30)33-28/h12,17,20-23H,1,13-16,18H2,2-11H3/t20-,21+,22-,23-,27-,28-,29+/m0/s1
InChIKeyUIDOGNLZMLQMBH-VYFXARLLSA-N
XLogP6.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.87
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione?
The IUPAC name of (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione (CID 132849238) is (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione.
What is the SMILES notation for (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione?
The canonical SMILES for (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione is C=CC[C@@H](O[Si](CC)(CC)CC)[C@]12C(=O)O[C@H]3C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H]([C@H]31)[C@@]21C=C(C)C(=O)O1.
What is the InChIKey of (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione?
The InChIKey is UIDOGNLZMLQMBH-VYFXARLLSA-N. The full InChI is InChI=1S/C29H48O6Si2/c1-12-16-21(34-37(13-2,14-3)15-4)29-22-20(32-25(29)31)18-27(9,35-36(10,11)26(6,7)8)23(22)28(29)17-19(5)24(30)33-28/h12,17,20-23H,1,13-16,18H2,2-11H3/t20-,21+,22-,23-,27-,28-,29+/m0/s1.
What are the key properties of (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione?
(1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione has a molecular weight of 548.87 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3',8-dimethyl-3-[(1R)-1-triethylsilyloxybut-3-enyl]spiro[5-oxatricyclo[4.2.1.03,9]nonane-2,5'-furan]-2',4-dione is sourced from PubChem (CID 132849238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).