(2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one

C17H30O5Si — CID 11186941

IUPAC(2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one
SMILESCC1(C)O[C@H]2C(=O)O[C@@]3(CCC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C17H30O5Si/c1-15(2,3)23(6,7)22-11-9-8-10-17(11)13-12(14(18)21-17)19-16(4,5)20-13/h11-13H,8-10H2,1-7H3/t11-,12+,13-,17+/m0/s1
InChIKeyIPFFGZALYWDRJN-PFHKOEEOSA-N
MW342.51 g/mol
LogP3.38
Rot. Bonds2

About (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one

(2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one (PubChem CID 11186941) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one.

Molecular Properties

Compound Name(2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one
PubChem CID11186941
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name(2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one
SMILESCC1(C)O[C@H]2C(=O)O[C@@]3(CCC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C17H30O5Si/c1-15(2,3)23(6,7)22-11-9-8-10-17(11)13-12(14(18)21-17)19-16(4,5)20-13/h11-13H,8-10H2,1-7H3/t11-,12+,13-,17+/m0/s1
InChIKeyIPFFGZALYWDRJN-PFHKOEEOSA-N
XLogP3.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4-carboxylate
CID 134832334
(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one
CID 134833051
(2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one
CID 134971088
ethyl (3aR,4S,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-2-oxo-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4-carboxylate
CID 135017519
dimethyl (4R,5R)-2,2-dimethyl-4-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932018
[(3aS,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-oxo-5,6-dihydrocyclopenta[d][1,3]dioxol-6a-yl]methyl acetate
CID 53670144
(3aR,6R,6aR)-6-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2,2-diethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10551862
methyl (3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylate
CID 10893375
(3aR,6R,6aR)-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2,2-diethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10994165
ditert-butyl (2S,3S)-3-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxooxolan-2-yl]-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylate
CID 11331733
(1S,5S,11S)-7,7,9,9-tetra(propan-2-yl)-2,6,8,10-tetraoxa-7,9-disilatricyclo[9.3.0.01,5]tetradecan-3-one
CID 11589715

Frequently Asked Questions

What is the IUPAC name of (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one?
The IUPAC name of (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one (CID 11186941) is (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one.
What is the SMILES notation for (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one?
The canonical SMILES for (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one is CC1(C)O[C@H]2C(=O)O[C@@]3(CCC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one?
The InChIKey is IPFFGZALYWDRJN-PFHKOEEOSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-15(2,3)23(6,7)22-11-9-8-10-17(11)13-12(14(18)21-17)19-16(4,5)20-13/h11-13H,8-10H2,1-7H3/t11-,12+,13-,17+/m0/s1.
What are the key properties of (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one?
(2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one has a molecular weight of 342.51 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one is sourced from PubChem (CID 11186941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).