(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

C16H24O3Si — CID 10780015

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

About (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

(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 (PubChem CID 10780015) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10780015
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name(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
SMILESC[C@]12CCC3(OCCO3)[C@H]1[C@@H]1C(=O)C([Si](C)(C)C)=C[C@@H]12
InChIInChI=1S/C16H24O3Si/c1-15-5-6-16(18-7-8-19-16)14(15)12-10(15)9-11(13(12)17)20(2,3)4/h9-10,12,14H,5-8H2,1-4H3/t10-,12-,14-,15+/m0/s1
InChIKeyGZGUKVIIARHCNM-HQRZJTNHSA-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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Related Compounds

(1'R,2'S,6'R,7'S)-1'-methylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10727636
(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)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10560199
(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'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)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10828507
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@]12CCC3(OCCO3)[C@H]1[C@@H]1C(=O)C([Si](C)(C)C)=C[C@@H]12.
What is the InChIKey of (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?
The InChIKey is GZGUKVIIARHCNM-HQRZJTNHSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-15-5-6-16(18-7-8-19-16)14(15)12-10(15)9-11(13(12)17)20(2,3)4/h9-10,12,14H,5-8H2,1-4H3/t10-,12-,14-,15+/m0/s1.
What are the key properties of (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?
(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 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'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 is sourced from PubChem (CID 10780015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).