[(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane

C18H32O3Si — CID 10936245

IUPAC[(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane
SMILESCOCO[C@H]1C(C)(C)CC(O[Si](C)(C)C)=C2CC=CC[C@]21C
InChIInChI=1S/C18H32O3Si/c1-17(2)12-15(21-22(5,6)7)14-10-8-9-11-18(14,3)16(17)20-13-19-4/h8-9,16H,10-13H2,1-7H3/t16-,18+/m0/s1
InChIKeyKZIMJLOCLOTKJG-FUHWJXTLSA-N
MW324.54 g/mol
LogP4.87
Rot. Bonds5

About [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane

[(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane (PubChem CID 10936245) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane
PubChem CID10936245
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name[(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane
SMILESCOCO[C@H]1C(C)(C)CC(O[Si](C)(C)C)=C2CC=CC[C@]21C
InChIInChI=1S/C18H32O3Si/c1-17(2)12-15(21-22(5,6)7)14-10-8-9-11-18(14,3)16(17)20-13-19-4/h8-9,16H,10-13H2,1-7H3/t16-,18+/m0/s1
InChIKeyKZIMJLOCLOTKJG-FUHWJXTLSA-N
XLogP4.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane (CID 10936245) is [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane is COCO[C@H]1C(C)(C)CC(O[Si](C)(C)C)=C2CC=CC[C@]21C.
What is the InChIKey of [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane?
The InChIKey is KZIMJLOCLOTKJG-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-17(2)12-15(21-22(5,6)7)14-10-8-9-11-18(14,3)16(17)20-13-19-4/h8-9,16H,10-13H2,1-7H3/t16-,18+/m0/s1.
What are the key properties of [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane?
[(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane has a molecular weight of 324.54 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 10936245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).