(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one

C14H24O3Si — CID 10801878

IUPAC(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12C=CC(=O)O2
InChIInChI=1S/C14H24O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-11H,6-7,9H2,1-5H3/t11-,14-/m0/s1
InChIKeyYRAQDNSUNKZDJX-FZMZJTMJSA-N
MW268.43 g/mol
LogP3.41
Rot. Bonds2

About (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one

(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one (PubChem CID 10801878) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
PubChem CID10801878
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12C=CC(=O)O2
InChIInChI=1S/C14H24O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-11H,6-7,9H2,1-5H3/t11-,14-/m0/s1
InChIKeyYRAQDNSUNKZDJX-FZMZJTMJSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.41
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

(5S,6R)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-one
CID 10563859
(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 134845125
ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate
CID 58242170
ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate
CID 123931609
tert-butyl(dimethyl)silyl (5S,6R)-1-oxaspiro[4.4]non-3-en-6-yl ether
CID 10634730
tert-butyl(dimethyl)silyl (5S,6S)-1-oxaspiro[4.4]non-3-en-6-yl ether
CID 99772384
(2S,5S,6R)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-yl acetate
CID 99772388
(5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
CID 99772822
9,9-Diethoxy-1-oxaspiro[4.4]non-3-en-2-one
CID 101405552
(6S)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-one
CID 117070998

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one?
The IUPAC name of (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one (CID 10801878) is (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one?
The canonical SMILES for (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12C=CC(=O)O2.
What is the InChIKey of (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one?
The InChIKey is YRAQDNSUNKZDJX-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-11H,6-7,9H2,1-5H3/t11-,14-/m0/s1.
What are the key properties of (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one?
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one has a molecular weight of 268.43 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 10801878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).