[(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol

C20H36O4Si — CID 10948619

IUPAC[(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@H]2CC3(CC[C@]12C)OCCO3
InChIInChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-17-8-7-15(14-21)16-13-20(22-11-12-23-20)10-9-19(16,17)4/h7,16-17,21H,8-14H2,1-6H3/t16-,17+,19+/m1/s1
InChIKeyKJPVAJUJMDDTDS-AOIWGVFYSA-N
MW368.59 g/mol
LogP4.25
Rot. Bonds3

About [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol

[(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol (PubChem CID 10948619) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol.

Molecular Properties

Compound Name[(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol
PubChem CID10948619
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name[(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@H]2CC3(CC[C@]12C)OCCO3
InChIInChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-17-8-7-15(14-21)16-13-20(22-11-12-23-20)10-9-19(16,17)4/h7,16-17,21H,8-14H2,1-6H3/t16-,17+,19+/m1/s1
InChIKeyKJPVAJUJMDDTDS-AOIWGVFYSA-N
XLogP4.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol?
The IUPAC name of [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol (CID 10948619) is [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol.
What is the SMILES notation for [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol?
The canonical SMILES for [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@H]2CC3(CC[C@]12C)OCCO3.
What is the InChIKey of [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol?
The InChIKey is KJPVAJUJMDDTDS-AOIWGVFYSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-17-8-7-15(14-21)16-13-20(22-11-12-23-20)10-9-19(16,17)4/h7,16-17,21H,8-14H2,1-6H3/t16-,17+,19+/m1/s1.
What are the key properties of [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol?
[(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol has a molecular weight of 368.59 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4'S,4'aS,8'aR)-4'-[tert-butyl(dimethyl)silyl]oxy-4'a-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydronaphthalene]-1'-yl]methanol is sourced from PubChem (CID 10948619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).