3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal

C34H66O7Si3 — CID 11693209

IUPAC3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]2C[C@H]3O[C@@H](CCC=O)[C@](C)(O[Si](C)(C)C)C[C@]3(C)O[C@@H]2C=C[C@]1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H66O7Si3/c1-30(2,3)43(13,14)36-23-29-32(7,41-44(15,16)31(4,5)6)20-19-25-26(37-29)22-28-33(8,39-25)24-34(9,40-42(10,11)12)27(38-28)18-17-21-35/h19-21,25-29H,17-18,22-24H2,1-16H3/t25-,26+,27+,28-,29-,32+,33+,34-/m1/s1
InChIKeyMETZTGGLJUPTEB-DSXNPSQJSA-N
MW671.15 g/mol
LogP8.41
Rot. Bonds10

About 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal

3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal (PubChem CID 11693209) has the molecular formula C34H66O7Si3 and a molecular weight of 671.15 g/mol. Its IUPAC name is 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal.

Molecular Properties

Compound Name3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal
PubChem CID11693209
Molecular FormulaC34H66O7Si3
Molecular Weight671.15 g/mol
Exact Mass670.41
IUPAC Name3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]2C[C@H]3O[C@@H](CCC=O)[C@](C)(O[Si](C)(C)C)C[C@]3(C)O[C@@H]2C=C[C@]1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H66O7Si3/c1-30(2,3)43(13,14)36-23-29-32(7,41-44(15,16)31(4,5)6)20-19-25-26(37-29)22-28-33(8,39-25)24-34(9,40-42(10,11)12)27(38-28)18-17-21-35/h19-21,25-29H,17-18,22-24H2,1-16H3/t25-,26+,27+,28-,29-,32+,33+,34-/m1/s1
InChIKeyMETZTGGLJUPTEB-DSXNPSQJSA-N
XLogP8.41
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.15
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal 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-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane
CID 11628968
3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanoic acid
CID 11657662
ethyl (E)-3-[[(2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-3,4a-dimethyl-6-(3-oxopropyl)-2-prop-2-enyl-2,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-7-yl]oxy]prop-2-enoate
CID 16120825
(1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one
CID 24787960
[(1R,3S,5R,6S,8R,10S,12R,13S)-6-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-yl]oxy-trimethylsilane
CID 102175444

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal?
The IUPAC name of 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal (CID 11693209) is 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal.
What is the SMILES notation for 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal?
The canonical SMILES for 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]2C[C@H]3O[C@@H](CCC=O)[C@](C)(O[Si](C)(C)C)C[C@]3(C)O[C@@H]2C=C[C@]1(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal?
The InChIKey is METZTGGLJUPTEB-DSXNPSQJSA-N. The full InChI is InChI=1S/C34H66O7Si3/c1-30(2,3)43(13,14)36-23-29-32(7,41-44(15,16)31(4,5)6)20-19-25-26(37-29)22-28-33(8,39-25)24-34(9,40-42(10,11)12)27(38-28)18-17-21-35/h19-21,25-29H,17-18,22-24H2,1-16H3/t25-,26+,27+,28-,29-,32+,33+,34-/m1/s1.
What are the key properties of 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal?
3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal has a molecular weight of 671.15 g/mol, XLogP of 8.41, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal is sourced from PubChem (CID 11693209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).