(5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol

C19H34O5Si — CID 102276398

IUPAC(5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC2(OCCO2)[C@@]2(C)CC(O)C(O)C=C12
InChIInChI=1S/C19H34O5Si/c1-17(2,3)25(5,6)24-16-7-8-19(22-9-10-23-19)18(4)12-15(21)14(20)11-13(16)18/h11,14-16,20-21H,7-10,12H2,1-6H3/t14?,15?,16-,18+/m1/s1
InChIKeyZJFYXLOOELXELT-IOTAOYMUSA-N
MW370.56 g/mol
LogP2.97
Rot. Bonds2

About (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol

(5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol (PubChem CID 102276398) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol.

Molecular Properties

Compound Name(5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol
PubChem CID102276398
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name(5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC2(OCCO2)[C@@]2(C)CC(O)C(O)C=C12
InChIInChI=1S/C19H34O5Si/c1-17(2,3)25(5,6)24-16-7-8-19(22-9-10-23-19)18(4)12-15(21)14(20)11-13(16)18/h11,14-16,20-21H,7-10,12H2,1-6H3/t14?,15?,16-,18+/m1/s1
InChIKeyZJFYXLOOELXELT-IOTAOYMUSA-N
XLogP2.97
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol?
The IUPAC name of (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol (CID 102276398) is (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol.
What is the SMILES notation for (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol?
The canonical SMILES for (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol is CC(C)(C)[Si](C)(C)O[C@@H]1CCC2(OCCO2)[C@@]2(C)CC(O)C(O)C=C12.
What is the InChIKey of (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol?
The InChIKey is ZJFYXLOOELXELT-IOTAOYMUSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-17(2,3)25(5,6)24-16-7-8-19(22-9-10-23-19)18(4)12-15(21)14(20)11-13(16)18/h11,14-16,20-21H,7-10,12H2,1-6H3/t14?,15?,16-,18+/m1/s1.
What are the key properties of (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol?
(5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol has a molecular weight of 370.56 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,2'-1,3-dioxolane]-2,3-diol is sourced from PubChem (CID 102276398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).