[(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane

C22H36O3Si — CID 59804548

IUPAC[(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane
SMILESC[C@H]1[C@@H]2CCC3=C(CCC4(C3)OCCO4)C2=CC[C@]1(C)CO[Si](C)(C)C
InChIInChI=1S/C22H36O3Si/c1-16-18-7-6-17-14-22(23-12-13-24-22)11-9-19(17)20(18)8-10-21(16,2)15-25-26(3,4)5/h8,16,18H,6-7,9-15H2,1-5H3/t16-,18-,21+/m0/s1
InChIKeyFNCPDDJHOXQGTO-DJPFJPOOSA-N
MW376.61 g/mol
LogP5.44
Rot. Bonds3

About [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane

[(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane (PubChem CID 59804548) has the molecular formula C22H36O3Si and a molecular weight of 376.61 g/mol. Its IUPAC name is [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane
PubChem CID59804548
Molecular FormulaC22H36O3Si
Molecular Weight376.61 g/mol
Exact Mass376.24
IUPAC Name[(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane
SMILESC[C@H]1[C@@H]2CCC3=C(CCC4(C3)OCCO4)C2=CC[C@]1(C)CO[Si](C)(C)C
InChIInChI=1S/C22H36O3Si/c1-16-18-7-6-17-14-22(23-12-13-24-22)11-9-19(17)20(18)8-10-21(16,2)15-25-26(3,4)5/h8,16,18H,6-7,9-15H2,1-5H3/t16-,18-,21+/m0/s1
InChIKeyFNCPDDJHOXQGTO-DJPFJPOOSA-N
XLogP5.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 55.44
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 [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane?
The IUPAC name of [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane (CID 59804548) is [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane.
What is the SMILES notation for [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane?
The canonical SMILES for [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane is C[C@H]1[C@@H]2CCC3=C(CCC4(C3)OCCO4)C2=CC[C@]1(C)CO[Si](C)(C)C.
What is the InChIKey of [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane?
The InChIKey is FNCPDDJHOXQGTO-DJPFJPOOSA-N. The full InChI is InChI=1S/C22H36O3Si/c1-16-18-7-6-17-14-22(23-12-13-24-22)11-9-19(17)20(18)8-10-21(16,2)15-25-26(3,4)5/h8,16,18H,6-7,9-15H2,1-5H3/t16-,18-,21+/m0/s1.
What are the key properties of [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane?
[(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane has a molecular weight of 376.61 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,10aS)-1,2-dimethylspiro[1,3,5,6,8,9,10,10a-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-yl]methoxy-trimethylsilane is sourced from PubChem (CID 59804548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).