(3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one

C17H30O6Si — CID 58766078

IUPAC(3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one
SMILESCC1(C)OC2[C@@H](CO[C@]3(CCC(=O)O3)[C@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O6Si/c1-15(2,3)24(6,7)23-14-13-11(20-16(4,5)22-13)10-19-17(14)9-8-12(18)21-17/h11,13-14H,8-10H2,1-7H3/t11-,13?,14+,17+/m1/s1
InChIKeyMIEZZKAESSNJMO-JVFMJFNZSA-N
MW358.51 g/mol
LogP2.96
Rot. Bonds2

About (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one

(3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one (PubChem CID 58766078) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one.

Molecular Properties

Compound Name(3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one
PubChem CID58766078
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name(3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one
SMILESCC1(C)OC2[C@@H](CO[C@]3(CCC(=O)O3)[C@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O6Si/c1-15(2,3)24(6,7)23-14-13-11(20-16(4,5)22-13)10-19-17(14)9-8-12(18)21-17/h11,13-14H,8-10H2,1-7H3/t11-,13?,14+,17+/m1/s1
InChIKeyMIEZZKAESSNJMO-JVFMJFNZSA-N
XLogP2.96
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 15596056
(5S)-5-[[tert-butyl(dimethyl)silyl]oxy-[(2S)-5-oxooxolan-2-yl]methyl]oxolan-2-one
CID 14658518
methyl (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 17759245
ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,2R,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
CID 134832224
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,2R,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
CID 134832225
ethyl (3aR,4R,6R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxylate
CID 134845413
ethyl (3aR,4R,6R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxylate
CID 11131331
(3S,5R)-5-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxyoxolan-2-one
CID 68035064
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 173787691
ethyl 3-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propanoate
CID 10496651
(5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one
CID 10527291

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one?
The IUPAC name of (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one (CID 58766078) is (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one.
What is the SMILES notation for (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one?
The canonical SMILES for (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one is CC1(C)OC2[C@@H](CO[C@]3(CCC(=O)O3)[C@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one?
The InChIKey is MIEZZKAESSNJMO-JVFMJFNZSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-15(2,3)24(6,7)23-14-13-11(20-16(4,5)22-13)10-19-17(14)9-8-12(18)21-17/h11,13-14H,8-10H2,1-7H3/t11-,13?,14+,17+/m1/s1.
What are the key properties of (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one?
(3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one has a molecular weight of 358.51 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2'-one is sourced from PubChem (CID 58766078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).