[(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane

C18H32O3Si — CID 11001886

IUPAC[(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane
SMILESC[C@H]1OC2(CCC[C@@H]3CC(O[Si](C)(C)C)=CC[C@@]32C)O[C@@H]1C
InChIInChI=1S/C18H32O3Si/c1-13-14(2)20-18(19-13)10-7-8-15-12-16(21-22(4,5)6)9-11-17(15,18)3/h9,13-15H,7-8,10-12H2,1-6H3/t13-,14-,15-,17+/m1/s1
InChIKeyOTLJQKQEAFGQTO-ANQUJSFKSA-N
MW324.54 g/mol
LogP4.84
Rot. Bonds2

About [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane

[(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane (PubChem CID 11001886) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane
PubChem CID11001886
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name[(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane
SMILESC[C@H]1OC2(CCC[C@@H]3CC(O[Si](C)(C)C)=CC[C@@]32C)O[C@@H]1C
InChIInChI=1S/C18H32O3Si/c1-13-14(2)20-18(19-13)10-7-8-15-12-16(21-22(4,5)6)9-11-17(15,18)3/h9,13-15H,7-8,10-12H2,1-6H3/t13-,14-,15-,17+/m1/s1
InChIKeyOTLJQKQEAFGQTO-ANQUJSFKSA-N
XLogP4.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane?
The IUPAC name of [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane (CID 11001886) is [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane?
The canonical SMILES for [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane is C[C@H]1OC2(CCC[C@@H]3CC(O[Si](C)(C)C)=CC[C@@]32C)O[C@@H]1C.
What is the InChIKey of [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane?
The InChIKey is OTLJQKQEAFGQTO-ANQUJSFKSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-13-14(2)20-18(19-13)10-7-8-15-12-16(21-22(4,5)6)9-11-17(15,18)3/h9,13-15H,7-8,10-12H2,1-6H3/t13-,14-,15-,17+/m1/s1.
What are the key properties of [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane?
[(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane has a molecular weight of 324.54 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane is sourced from PubChem (CID 11001886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).