(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

C15H22O3Si — CID 10588689

IUPAC(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
SMILESC[Si](C)(C)C1=C[C@@H]2[C@H](C1=O)[C@H]1CCC3(OCCO3)[C@@H]21
InChIInChI=1S/C15H22O3Si/c1-19(2,3)11-8-10-12(14(11)16)9-4-5-15(13(9)10)17-6-7-18-15/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12-,13-/m1/s1
InChIKeyFTMHTVZKIPSRPW-FPQZTECRSA-N
MW278.42 g/mol
LogP2.39
Rot. Bonds1

About (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

(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 (PubChem CID 10588689) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10588689
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name(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
SMILESC[Si](C)(C)C1=C[C@@H]2[C@H](C1=O)[C@H]1CCC3(OCCO3)[C@@H]21
InChIInChI=1S/C15H22O3Si/c1-19(2,3)11-8-10-12(14(11)16)9-4-5-15(13(9)10)17-6-7-18-15/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12-,13-/m1/s1
InChIKeyFTMHTVZKIPSRPW-FPQZTECRSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.39
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'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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[Si](C)(C)C1=C[C@@H]2[C@H](C1=O)[C@H]1CCC3(OCCO3)[C@@H]21.
What is the InChIKey of (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?
The InChIKey is FTMHTVZKIPSRPW-FPQZTECRSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-19(2,3)11-8-10-12(14(11)16)9-4-5-15(13(9)10)17-6-7-18-15/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12-,13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 278.42 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10588689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).