[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate

C17H30O5Si — CID 46211083

IUPAC[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate
SMILESCC(=O)O[C@H]1CC2(CC[C@@H]3OCCC[C@H]3O2)O[C@]1(C)[Si](C)(C)C
InChIInChI=1S/C17H30O5Si/c1-12(18)20-15-11-17(22-16(15,2)23(3,4)5)9-8-13-14(21-17)7-6-10-19-13/h13-15H,6-11H2,1-5H3/t13-,14+,15-,16+,17?/m0/s1
InChIKeyMVOMSWUGEQWWPW-HCMIALLCSA-N
MW342.51 g/mol
LogP3.03
Rot. Bonds2

About [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate

[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate (PubChem CID 46211083) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate.

Molecular Properties

Compound Name[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate
PubChem CID46211083
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate
SMILESCC(=O)O[C@H]1CC2(CC[C@@H]3OCCC[C@H]3O2)O[C@]1(C)[Si](C)(C)C
InChIInChI=1S/C17H30O5Si/c1-12(18)20-15-11-17(22-16(15,2)23(3,4)5)9-8-13-14(21-17)7-6-10-19-13/h13-15H,6-11H2,1-5H3/t13-,14+,15-,16+,17?/m0/s1
InChIKeyMVOMSWUGEQWWPW-HCMIALLCSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate with MolForge

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Related Compounds

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2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde
CID 130584802
[(1'S,3'aR,7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-yl] acetate
CID 11299784
(2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl) acetate
CID 13492071
2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol
CID 143391198
2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200
1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
[(3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate
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CID 134578078
acetic acid;[(2S,3S)-2-bromooxan-3-yl] acetate
CID 170946970
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CID 171402327

Frequently Asked Questions

What is the IUPAC name of [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate?
The IUPAC name of [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate (CID 46211083) is [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate.
What is the SMILES notation for [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate?
The canonical SMILES for [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate is CC(=O)O[C@H]1CC2(CC[C@@H]3OCCC[C@H]3O2)O[C@]1(C)[Si](C)(C)C.
What is the InChIKey of [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate?
The InChIKey is MVOMSWUGEQWWPW-HCMIALLCSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-12(18)20-15-11-17(22-16(15,2)23(3,4)5)9-8-13-14(21-17)7-6-10-19-13/h13-15H,6-11H2,1-5H3/t13-,14+,15-,16+,17?/m0/s1.
What are the key properties of [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate?
[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate has a molecular weight of 342.51 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate is sourced from PubChem (CID 46211083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).