(1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

C17H26O3Si — CID 10828507

IUPAC(1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESCC1=C([Si](C)(C)C)C(=O)[C@H]2[C@@H]3C4(CC[C@]3(C)[C@@H]12)OCCO4
InChIInChI=1S/C17H26O3Si/c1-10-12-11(13(18)14(10)21(3,4)5)15-16(12,2)6-7-17(15)19-8-9-20-17/h11-12,15H,6-9H2,1-5H3/t11-,12-,15-,16+/m0/s1
InChIKeyWOHUIIUVSVBSSX-GVAFMPQTSA-N
MW306.48 g/mol
LogP3.17
Rot. Bonds1

About (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

(1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (PubChem CID 10828507) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.

Molecular Properties

Compound Name(1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
PubChem CID10828507
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name(1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESCC1=C([Si](C)(C)C)C(=O)[C@H]2[C@@H]3C4(CC[C@]3(C)[C@@H]12)OCCO4
InChIInChI=1S/C17H26O3Si/c1-10-12-11(13(18)14(10)21(3,4)5)15-16(12,2)6-7-17(15)19-8-9-20-17/h11-12,15H,6-9H2,1-5H3/t11-,12-,15-,16+/m0/s1
InChIKeyWOHUIIUVSVBSSX-GVAFMPQTSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one with MolForge

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Related Compounds

(1'R,2'R,6'R,7'R)-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10516747
(1'R,2'R,6'R,7'R)-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10588689
(1'R,2'S,6'R,7'S)-4'-tert-butyl-1'-methylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10612515
(1'S,2'R,6'S,7'R)-4',5',7'-trimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10634291
(1'S,2'R,6'S,7'R)-4'-tert-butyl-7'-methylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10636199
(1'R,2'S,6'R,7'S)-1'-methyl-4'-propylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10682920
(1'S,2'R,6'R,7'R)-7'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10780015
(1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10824452
(1'S,2'R,6'S,7'R)-7'-methyl-4'-propylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10849079
(1'S,2'R,6'S,7'R)-6'-methylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 14378379
(1'S,2'R,6'S,7'R)-4'-tert-butyl-1'-methylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 101941650
(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

Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The IUPAC name of (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (CID 10828507) is (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.
What is the SMILES notation for (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The canonical SMILES for (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is CC1=C([Si](C)(C)C)C(=O)[C@H]2[C@@H]3C4(CC[C@]3(C)[C@@H]12)OCCO4.
What is the InChIKey of (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The InChIKey is WOHUIIUVSVBSSX-GVAFMPQTSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-10-12-11(13(18)14(10)21(3,4)5)15-16(12,2)6-7-17(15)19-8-9-20-17/h11-12,15H,6-9H2,1-5H3/t11-,12-,15-,16+/m0/s1.
What are the key properties of (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
(1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one has a molecular weight of 306.48 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is sourced from PubChem (CID 10828507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).