(2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one

C17H30O4Si — CID 10853608

IUPAC(2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one
SMILESC[C@@H]1CC(=O)C[C@]2(C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C)O2)O1
InChIInChI=1S/C17H30O4Si/c1-12-8-14(18)10-17(19-12)11-15(9-13(2)20-17)21-22(6,7)16(3,4)5/h11-13H,8-10H2,1-7H3/t12-,13-,17+/m1/s1
InChIKeyKLNDMTNHVQNQBR-XNJGSVPQSA-N
MW326.51 g/mol
LogP4.17
Rot. Bonds2

About (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one

(2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one (PubChem CID 10853608) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one.

Molecular Properties

Compound Name(2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one
PubChem CID10853608
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name(2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one
SMILESC[C@@H]1CC(=O)C[C@]2(C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C)O2)O1
InChIInChI=1S/C17H30O4Si/c1-12-8-14(18)10-17(19-12)11-15(9-13(2)20-17)21-22(6,7)16(3,4)5/h11-13H,8-10H2,1-7H3/t12-,13-,17+/m1/s1
InChIKeyKLNDMTNHVQNQBR-XNJGSVPQSA-N
XLogP4.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one?
The IUPAC name of (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one (CID 10853608) is (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one.
What is the SMILES notation for (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one?
The canonical SMILES for (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one is C[C@@H]1CC(=O)C[C@]2(C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C)O2)O1.
What is the InChIKey of (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one?
The InChIKey is KLNDMTNHVQNQBR-XNJGSVPQSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-12-8-14(18)10-17(19-12)11-15(9-13(2)20-17)21-22(6,7)16(3,4)5/h11-13H,8-10H2,1-7H3/t12-,13-,17+/m1/s1.
What are the key properties of (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one?
(2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one has a molecular weight of 326.51 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-en-10-one is sourced from PubChem (CID 10853608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).