(1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

C16H24O3Si — CID 177390848

IUPAC(1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESC[C@@]12CCC3(OCCO3)[C@H]1[C@H]1C=C([Si](C)(C)C)C(=O)[C@@H]12
InChIInChI=1S/C16H24O3Si/c1-15-5-6-16(18-7-8-19-16)14(15)10-9-11(20(2,3)4)13(17)12(10)15/h9-10,12,14H,5-8H2,1-4H3/t10-,12+,14-,15-/m0/s1
InChIKeyXFNQHOXRDZNFFJ-FDEJFUCISA-N
MW292.45 g/mol
LogP2.78
Rot. Bonds1

About (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

(1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (PubChem CID 177390848) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.

Molecular Properties

Compound Name(1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
PubChem CID177390848
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name(1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESC[C@@]12CCC3(OCCO3)[C@H]1[C@H]1C=C([Si](C)(C)C)C(=O)[C@@H]12
InChIInChI=1S/C16H24O3Si/c1-15-5-6-16(18-7-8-19-16)14(15)10-9-11(20(2,3)4)13(17)12(10)15/h9-10,12,14H,5-8H2,1-4H3/t10-,12+,14-,15-/m0/s1
InChIKeyXFNQHOXRDZNFFJ-FDEJFUCISA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.78
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 (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The IUPAC name of (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (CID 177390848) is (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.
What is the SMILES notation for (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The canonical SMILES for (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is C[C@@]12CCC3(OCCO3)[C@H]1[C@H]1C=C([Si](C)(C)C)C(=O)[C@@H]12.
What is the InChIKey of (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The InChIKey is XFNQHOXRDZNFFJ-FDEJFUCISA-N. The full InChI is InChI=1S/C16H24O3Si/c1-15-5-6-16(18-7-8-19-16)14(15)10-9-11(20(2,3)4)13(17)12(10)15/h9-10,12,14H,5-8H2,1-4H3/t10-,12+,14-,15-/m0/s1.
What are the key properties of (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
(1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one has a molecular weight of 292.45 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'S,6'S,7'S)-1'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is sourced from PubChem (CID 177390848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).