(7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one

C14H24O4Si — CID 101227252

IUPAC(7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCC2=CC(=O)OC21O
InChIInChI=1S/C14H24O4Si/c1-13(2,3)19(4,5)18-11-8-6-7-10-9-12(15)17-14(10,11)16/h9,11,16H,6-8H2,1-5H3/t11-,14?/m0/s1
InChIKeyHRDRAEXNPZQTGX-ZSOXZCCMSA-N
MW284.43 g/mol
LogP2.73
Rot. Bonds2

About (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one

(7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one (PubChem CID 101227252) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one.

Molecular Properties

Compound Name(7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one
PubChem CID101227252
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name(7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCC2=CC(=O)OC21O
InChIInChI=1S/C14H24O4Si/c1-13(2,3)19(4,5)18-11-8-6-7-10-9-12(15)17-14(10,11)16/h9,11,16H,6-8H2,1-5H3/t11-,14?/m0/s1
InChIKeyHRDRAEXNPZQTGX-ZSOXZCCMSA-N
XLogP2.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
(8S,9S,10R,13R,14S,17S)-1-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
CID 67260970
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
CID 134971127
(6R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 132820482
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
CID 11779460
(2R,4R,4aR,9aR)-4-[tert-butyl(dimethyl)silyl]oxy-4a-hydroxy-2-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-benzo[7]annulen-5-one
CID 102372590
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one?
The IUPAC name of (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one (CID 101227252) is (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one.
What is the SMILES notation for (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one?
The canonical SMILES for (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CCCC2=CC(=O)OC21O.
What is the InChIKey of (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one?
The InChIKey is HRDRAEXNPZQTGX-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-13(2,3)19(4,5)18-11-8-6-7-10-9-12(15)17-14(10,11)16/h9,11,16H,6-8H2,1-5H3/t11-,14?/m0/s1.
What are the key properties of (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one?
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one has a molecular weight of 284.43 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[tert-butyl(dimethyl)silyl]oxy-7a-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-2-one is sourced from PubChem (CID 101227252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).