(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one

C13H20O4Si — CID 134845125

IUPAC(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCO[C@@H]1C=C(O[Si](C)(C)C)CC[C@]12C=CC(=O)O2
InChIInChI=1S/C13H20O4Si/c1-15-11-9-10(17-18(2,3)4)5-7-13(11)8-6-12(14)16-13/h6,8-9,11H,5,7H2,1-4H3/t11-,13+/m1/s1
InChIKeyLSWNRYXCPIOZPV-YPMHNXCESA-N
MW268.38 g/mol
LogP2.38
Rot. Bonds3

About (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one

(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one (PubChem CID 134845125) has the molecular formula C13H20O4Si and a molecular weight of 268.38 g/mol. Its IUPAC name is (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one.

Molecular Properties

Compound Name(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one
PubChem CID134845125
Molecular FormulaC13H20O4Si
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCO[C@@H]1C=C(O[Si](C)(C)C)CC[C@]12C=CC(=O)O2
InChIInChI=1S/C13H20O4Si/c1-15-11-9-10(17-18(2,3)4)5-7-13(11)8-6-12(14)16-13/h6,8-9,11H,5,7H2,1-4H3/t11-,13+/m1/s1
InChIKeyLSWNRYXCPIOZPV-YPMHNXCESA-N
XLogP2.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
CID 138985052
methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
CID 138985052
(5S,6R)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-one
CID 10563859
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
CID 10801878
[(E)-2-[(2R,3aR,7aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]ethenyl] acetate
CID 60203814
3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one
CID 23259755
ethyl (E)-3-[(2S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
CID 16111172
(5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
CID 99772822
(6S)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-one
CID 117070998
(6S)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-one
CID 117070998
(6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one
CID 177425680

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The IUPAC name of (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one (CID 134845125) is (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one.
What is the SMILES notation for (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The canonical SMILES for (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one is CO[C@@H]1C=C(O[Si](C)(C)C)CC[C@]12C=CC(=O)O2.
What is the InChIKey of (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The InChIKey is LSWNRYXCPIOZPV-YPMHNXCESA-N. The full InChI is InChI=1S/C13H20O4Si/c1-15-11-9-10(17-18(2,3)4)5-7-13(11)8-6-12(14)16-13/h6,8-9,11H,5,7H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one?
(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one has a molecular weight of 268.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one is sourced from PubChem (CID 134845125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).