[(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate

C24H42O7Si — CID 24754940

IUPAC[(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@]2(OC)CC[C@](C)(C[C@@H](OC(=O)C(C)C)[C@H]3CC(=O)O[C@@H]31)O2
InChIInChI=1S/C24H42O7Si/c1-8-32(9-2,10-3)30-19-15-24(27-7)12-11-23(6,31-24)14-18(28-22(26)16(4)5)17-13-20(25)29-21(17)19/h16-19,21H,8-15H2,1-7H3/t17-,18-,19-,21+,23-,24+/m1/s1
InChIKeyDNAUQQVSOHITSE-UAABRMHFSA-N
MW470.68 g/mol
LogP4.58
Rot. Bonds8

About [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate

[(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate (PubChem CID 24754940) has the molecular formula C24H42O7Si and a molecular weight of 470.68 g/mol. Its IUPAC name is [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
PubChem CID24754940
Molecular FormulaC24H42O7Si
Molecular Weight470.68 g/mol
Exact Mass470.27
IUPAC Name[(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@]2(OC)CC[C@](C)(C[C@@H](OC(=O)C(C)C)[C@H]3CC(=O)O[C@@H]31)O2
InChIInChI=1S/C24H42O7Si/c1-8-32(9-2,10-3)30-19-15-24(27-7)12-11-23(6,31-24)14-18(28-22(26)16(4)5)17-13-20(25)29-21(17)19/h16-19,21H,8-15H2,1-7H3/t17-,18-,19-,21+,23-,24+/m1/s1
InChIKeyDNAUQQVSOHITSE-UAABRMHFSA-N
XLogP4.58
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate 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

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
(5S)-5-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(3S,5R,6R)-6-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-5-triethylsilyloxyhexan-2-one
CID 134895334
(1R,3S,7R,8R,9S,13S,14R,17R)-13-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-17-triethylsilyloxy-6,18-dioxatricyclo[12.3.1.03,7]octadecan-5-one
CID 135025771
methyl (3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]hex-5-ynoate
CID 11729645
methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-3-yl]acetate
CID 173847518
methyl 2-[(4R,5R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-3-yl]acetate
CID 173847554
methyl 2-[(4R)-5-[2,3-bis(triethylsilyloxy)propyl]-4-methoxyoxolan-3-yl]acetate
CID 173992085
(5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one
CID 10786284
(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one
CID 10787966
ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethyl-3-oxohexanoate
CID 10811853
(1S,4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-3-one
CID 10883861
(1R,2R,3R,7R,8S,9S)-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5-dimethyl-4,6,10-trioxatricyclo[7.2.1.03,7]dodecan-11-one
CID 10983580

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate?
The IUPAC name of [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate (CID 24754940) is [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate.
What is the SMILES notation for [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate?
The canonical SMILES for [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate is CC[Si](CC)(CC)O[C@@H]1C[C@]2(OC)CC[C@](C)(C[C@@H](OC(=O)C(C)C)[C@H]3CC(=O)O[C@@H]31)O2.
What is the InChIKey of [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate?
The InChIKey is DNAUQQVSOHITSE-UAABRMHFSA-N. The full InChI is InChI=1S/C24H42O7Si/c1-8-32(9-2,10-3)30-19-15-24(27-7)12-11-23(6,31-24)14-18(28-22(26)16(4)5)17-13-20(25)29-21(17)19/h16-19,21H,8-15H2,1-7H3/t17-,18-,19-,21+,23-,24+/m1/s1.
What are the key properties of [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate?
[(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate has a molecular weight of 470.68 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate is sourced from PubChem (CID 24754940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).