[(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate

C33H46O6Si — CID 11512489

IUPAC[(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate
SMILESCC(=O)OC1C[C@H](C)[C@]2(CC[C@]3(C)O[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC[C@H]3O2)O1
InChIInChI=1S/C33H46O6Si/c1-24-23-30(36-25(2)34)39-33(24)21-20-32(6)29(38-33)18-17-26(37-32)19-22-35-40(31(3,4)5,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,24,26,29-30H,17-23H2,1-6H3/t24-,26-,29+,30?,32-,33-/m0/s1
InChIKeyKHDSYGHLJKNAPK-GKAHMZEZSA-N
MW566.81 g/mol
LogP5.71
Rot. Bonds7

About [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate

[(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate (PubChem CID 11512489) has the molecular formula C33H46O6Si and a molecular weight of 566.81 g/mol. Its IUPAC name is [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate.

Molecular Properties

Compound Name[(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate
PubChem CID11512489
Molecular FormulaC33H46O6Si
Molecular Weight566.81 g/mol
Exact Mass566.31
IUPAC Name[(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate
SMILESCC(=O)OC1C[C@H](C)[C@]2(CC[C@]3(C)O[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC[C@H]3O2)O1
InChIInChI=1S/C33H46O6Si/c1-24-23-30(36-25(2)34)39-33(24)21-20-32(6)29(38-33)18-17-26(37-32)19-22-35-40(31(3,4)5,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,24,26,29-30H,17-23H2,1-6H3/t24-,26-,29+,30?,32-,33-/m0/s1
InChIKeyKHDSYGHLJKNAPK-GKAHMZEZSA-N
XLogP5.71
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.81
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate 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

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
(5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
CID 53360794
CID 101262502
CID 101262502
CID 101396473
CID 101396473
4-(4-t-butyldiphenylsilyloxy-2-butoxy)butyl 2-O-(2,3,4,6-tetra-O-acetyl-beta-d-mannopyranosyl)-3,4,6-tri-O-acetyl-beta-d-mannopyranoside
CID 129877956
CID 135078813
CID 135078813
[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury
CID 138975878
tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane
CID 139089511
tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane
CID 11456567
[(2S,3S,4S,5R,6R)-5-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxan-3-yl] acetate
CID 11730960
tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane
CID 71490040

Frequently Asked Questions

What is the IUPAC name of [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate?
The IUPAC name of [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate (CID 11512489) is [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate.
What is the SMILES notation for [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate?
The canonical SMILES for [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate is CC(=O)OC1C[C@H](C)[C@]2(CC[C@]3(C)O[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC[C@H]3O2)O1.
What is the InChIKey of [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate?
The InChIKey is KHDSYGHLJKNAPK-GKAHMZEZSA-N. The full InChI is InChI=1S/C33H46O6Si/c1-24-23-30(36-25(2)34)39-33(24)21-20-32(6)29(38-33)18-17-26(37-32)19-22-35-40(31(3,4)5,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,24,26,29-30H,17-23H2,1-6H3/t24-,26-,29+,30?,32-,33-/m0/s1.
What are the key properties of [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate?
[(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate has a molecular weight of 566.81 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4'S,4aS,6S,8aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4',4a-dimethylspiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,5'-oxolane]-2'-yl] acetate is sourced from PubChem (CID 11512489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).