(6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one

C17H34O6Si2 — CID 54177901

IUPAC(6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2OC(=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C17H34O6Si2/c1-10(2)24(11(3)4)20-9-14-16(15(18)17(19)21-14)22-25(23-24,12(5)6)13(7)8/h10-16,18H,9H2,1-8H3/t14-,15-,16-/m1/s1
InChIKeyOZSQAHKOXXGFGK-BZUAXINKSA-N
MW390.63 g/mol
LogP3.23
Rot. Bonds4

About (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one

(6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one (PubChem CID 54177901) has the molecular formula C17H34O6Si2 and a molecular weight of 390.63 g/mol. Its IUPAC name is (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one.

Molecular Properties

Compound Name(6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one
PubChem CID54177901
Molecular FormulaC17H34O6Si2
Molecular Weight390.63 g/mol
Exact Mass390.19
IUPAC Name(6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2OC(=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C17H34O6Si2/c1-10(2)24(11(3)4)20-9-14-16(15(18)17(19)21-14)22-25(23-24,12(5)6)13(7)8/h10-16,18H,9H2,1-8H3/t14-,15-,16-/m1/s1
InChIKeyOZSQAHKOXXGFGK-BZUAXINKSA-N
XLogP3.23
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(6aR,9aS)-2,2,4,4-Tetraisopropyldihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8(6aH)-one
CID 10926866
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Lyxonic acid, 1,4-lactone, TMS
CID 6427169
(3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 67190955
(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-one
CID 11746945
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]oxolan-2-one
CID 15318716
2,3,5-tris-O-(tms)-xylonic acid
CID 129849732
(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 134849102
(3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91746693
Xylonic acid, 1,4-lactone, TMS
CID 91750654

Frequently Asked Questions

What is the IUPAC name of (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one?
The IUPAC name of (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one (CID 54177901) is (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one.
What is the SMILES notation for (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one?
The canonical SMILES for (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one is CC(C)[Si]1(C(C)C)OC[C@H]2OC(=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one?
The InChIKey is OZSQAHKOXXGFGK-BZUAXINKSA-N. The full InChI is InChI=1S/C17H34O6Si2/c1-10(2)24(11(3)4)20-9-14-16(15(18)17(19)21-14)22-25(23-24,12(5)6)13(7)8/h10-16,18H,9H2,1-8H3/t14-,15-,16-/m1/s1.
What are the key properties of (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one?
(6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one has a molecular weight of 390.63 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one is sourced from PubChem (CID 54177901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).