[(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane

C19H34O3Si — CID 10830883

IUPAC[(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC=C2CC3(CC[C@@]21C)OCCO3
InChIInChI=1S/C19H34O3Si/c1-17(2,3)23(5,6)22-16-9-7-8-15-14-19(20-12-13-21-19)11-10-18(15,16)4/h8,16H,7,9-14H2,1-6H3/t16-,18-/m0/s1
InChIKeyJQGOEBQDNKCLEO-WMZOPIPTSA-N
MW338.56 g/mol
LogP5.03
Rot. Bonds2

About [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10830883) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10830883
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name[(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC=C2CC3(CC[C@@]21C)OCCO3
InChIInChI=1S/C19H34O3Si/c1-17(2,3)23(5,6)22-16-9-7-8-15-14-19(20-12-13-21-19)11-10-18(15,16)4/h8,16H,7,9-14H2,1-6H3/t16-,18-/m0/s1
InChIKeyJQGOEBQDNKCLEO-WMZOPIPTSA-N
XLogP5.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane (CID 10830883) is [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCC=C2CC3(CC[C@@]21C)OCCO3.
What is the InChIKey of [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JQGOEBQDNKCLEO-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-17(2,3)23(5,6)22-16-9-7-8-15-14-19(20-12-13-21-19)11-10-18(15,16)4/h8,16H,7,9-14H2,1-6H3/t16-,18-/m0/s1.
What are the key properties of [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 338.56 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,8aS)-8a-methylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10830883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).