(3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione

C21H30O5Si — CID 10739168

IUPAC(3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC2=C3C(=O)CC[C@@H]3[C@@H]3C(=O)OC(=O)[C@]3(C)[C@@H]2C1
InChIInChI=1S/C21H30O5Si/c1-20(2,3)27(5,6)26-11-9-13-14(10-11)21(4)17(18(23)25-19(21)24)12-7-8-15(22)16(12)13/h11-12,14,17H,7-10H2,1-6H3/t11-,12-,14+,17+,21+/m0/s1
InChIKeyWMVWMURSHQERBA-CTGDTLLCSA-N
MW390.55 g/mol
LogP3.78
Rot. Bonds2

About (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione

(3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione (PubChem CID 10739168) has the molecular formula C21H30O5Si and a molecular weight of 390.55 g/mol. Its IUPAC name is (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione.

Molecular Properties

Compound Name(3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione
PubChem CID10739168
Molecular FormulaC21H30O5Si
Molecular Weight390.55 g/mol
Exact Mass390.19
IUPAC Name(3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC2=C3C(=O)CC[C@@H]3[C@@H]3C(=O)OC(=O)[C@]3(C)[C@@H]2C1
InChIInChI=1S/C21H30O5Si/c1-20(2,3)27(5,6)26-11-9-13-14(10-11)21(4)17(18(23)25-19(21)24)12-7-8-15(22)16(12)13/h11-12,14,17H,7-10H2,1-6H3/t11-,12-,14+,17+,21+/m0/s1
InChIKeyWMVWMURSHQERBA-CTGDTLLCSA-N
XLogP3.78
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione with MolForge

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Related Compounds

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cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
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CID 25213394
(3aR,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
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(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(trichloromethyl)oxan-2-one
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3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione?
The IUPAC name of (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione (CID 10739168) is (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione.
What is the SMILES notation for (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione?
The canonical SMILES for (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione is CC(C)(C)[Si](C)(C)O[C@H]1CC2=C3C(=O)CC[C@@H]3[C@@H]3C(=O)OC(=O)[C@]3(C)[C@@H]2C1.
What is the InChIKey of (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione?
The InChIKey is WMVWMURSHQERBA-CTGDTLLCSA-N. The full InChI is InChI=1S/C21H30O5Si/c1-20(2,3)27(5,6)26-11-9-13-14(10-11)21(4)17(18(23)25-19(21)24)12-7-8-15(22)16(12)13/h11-12,14,17H,7-10H2,1-6H3/t11-,12-,14+,17+,21+/m0/s1.
What are the key properties of (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione?
(3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione has a molecular weight of 390.55 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione is sourced from PubChem (CID 10739168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).