(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione

C16H26O6Si2 — CID 10926774

IUPAC(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione
SMILESC[Si](C)(C)O[C@@H]1[C@H]2OC(=O)C[C@H]2[C@]2(C=CC(=O)O2)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C16H26O6Si2/c1-23(2,3)21-14-13-10(9-12(18)19-13)16(8-7-11(17)20-16)15(14)22-24(4,5)6/h7-8,10,13-15H,9H2,1-6H3/t10-,13+,14-,15+,16-/m1/s1
InChIKeyBQLFVYBTBWSQGP-NFWSPEMXSA-N
MW370.55 g/mol
LogP2.22
Rot. Bonds4

About (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione

(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione (PubChem CID 10926774) has the molecular formula C16H26O6Si2 and a molecular weight of 370.55 g/mol. Its IUPAC name is (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione.

Molecular Properties

Compound Name(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione
PubChem CID10926774
Molecular FormulaC16H26O6Si2
Molecular Weight370.55 g/mol
Exact Mass370.13
IUPAC Name(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione
SMILESC[Si](C)(C)O[C@@H]1[C@H]2OC(=O)C[C@H]2[C@]2(C=CC(=O)O2)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C16H26O6Si2/c1-23(2,3)21-14-13-10(9-12(18)19-13)16(8-7-11(17)20-16)15(14)22-24(4,5)6/h7-8,10,13-15H,9H2,1-6H3/t10-,13+,14-,15+,16-/m1/s1
InChIKeyBQLFVYBTBWSQGP-NFWSPEMXSA-N
XLogP2.22
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione with MolForge

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Related Compounds

2-trimethylsilyloxy-2H-furan-5-one
CID 91749621
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CID 130035110
(5S,6S)-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
CID 46173847
(4R,7E,9S,10R,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 163041353
(4R,7Z,9R,10S,13Z,15R,16R)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 163041350
(1R,4aR,4bR,10aR,10bS,12aS)-1-acetyl-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-1H-naphtho[2,1-f]isochromene-3,8-dione
CID 124858250
5,5,6,6-tetramethylpyran-2-one
CID 141046909
(4aR,6aS,6aS,6bS,8aS,9R,12aS,14aS,14bR)-4,4,6a,6b,10,10,12a,14b-octamethyl-9-trimethylsilyloxy-2,4a,5,6,6a,7,8,8a,9,11,12,13,14,14a-tetradecahydro-1H-picen-3-one
CID 22296929
(1R,2S,6R,7S)-3-oxatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 10464494
4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
CID 20652083
(5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one
CID 95562580
3,6-bis(trimethylsilyloxy)-1,4-dioxane-2,5-dione
CID 589596

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione?
The IUPAC name of (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione (CID 10926774) is (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione.
What is the SMILES notation for (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione?
The canonical SMILES for (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione is C[Si](C)(C)O[C@@H]1[C@H]2OC(=O)C[C@H]2[C@]2(C=CC(=O)O2)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione?
The InChIKey is BQLFVYBTBWSQGP-NFWSPEMXSA-N. The full InChI is InChI=1S/C16H26O6Si2/c1-23(2,3)21-14-13-10(9-12(18)19-13)16(8-7-11(17)20-16)15(14)22-24(4,5)6/h7-8,10,13-15H,9H2,1-6H3/t10-,13+,14-,15+,16-/m1/s1.
What are the key properties of (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione?
(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione has a molecular weight of 370.55 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione is sourced from PubChem (CID 10926774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).