(1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one

C32H54O7Si2 — CID 11135809

IUPAC(1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one
SMILESCC[Si](CC)(CC)O[C@H]1C[C@@]23OC(=O)O[C@H]2[C@@H]2C(O[Si](C)(C)C)=CCC[C@@]2(C)[C@H]2OC(C)(C)O[C@@H]2C(=C1C)C3(C)C
InChIInChI=1S/C32H54O7Si2/c1-13-41(14-2,15-3)39-22-19-32-26(34-28(33)37-32)24-21(38-40(10,11)12)17-16-18-31(24,9)27-25(35-30(7,8)36-27)23(20(22)4)29(32,5)6/h17,22,24-27H,13-16,18-19H2,1-12H3/t22-,24-,25+,26-,27-,31+,32+/m0/s1
InChIKeyAHLXZEVTMRAROW-JEEDQLLKSA-N
MW606.95 g/mol
LogP8.08
Rot. Bonds7

About (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one

(1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one (PubChem CID 11135809) has the molecular formula C32H54O7Si2 and a molecular weight of 606.95 g/mol. Its IUPAC name is (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one.

Molecular Properties

Compound Name(1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one
PubChem CID11135809
Molecular FormulaC32H54O7Si2
Molecular Weight606.95 g/mol
Exact Mass606.34
IUPAC Name(1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one
SMILESCC[Si](CC)(CC)O[C@H]1C[C@@]23OC(=O)O[C@H]2[C@@H]2C(O[Si](C)(C)C)=CCC[C@@]2(C)[C@H]2OC(C)(C)O[C@@H]2C(=C1C)C3(C)C
InChIInChI=1S/C32H54O7Si2/c1-13-41(14-2,15-3)39-22-19-32-26(34-28(33)37-32)24-21(38-40(10,11)12)17-16-18-31(24,9)27-25(35-30(7,8)36-27)23(20(22)4)29(32,5)6/h17,22,24-27H,13-16,18-19H2,1-12H3/t22-,24-,25+,26-,27-,31+,32+/m0/s1
InChIKeyAHLXZEVTMRAROW-JEEDQLLKSA-N
XLogP8.08
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.95
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-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

tert-butyl-[[(4R,5S,8S)-4-[[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-6,6,10-trimethyl-1,3-dioxaspiro[4.5]dec-9-en-8-yl]oxy]-dimethylsilane
CID 134937058
(1S,5S,6S,12S,16S)-16-[tert-butyl(dimethyl)silyl]oxy-12-hydroxy-7-methoxy-15,18,18-trimethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadeca-7,10,14-trien-3-one
CID 10648274
(4S,4'aS,5'R,8'aS)-5'-[tert-butyl(dimethyl)silyl]oxy-7'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4',4',8'a-trimethylspiro[1,3-dioxolane-4,8'-2,3,4a,5-tetrahydro-1H-naphthalene]-2-one
CID 10792190
(1S,5S,6R,7R,11R,12R,16R,19S)-7-hydroxy-7,11,14,14,18,21,21-heptamethyl-19-triethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicos-17-en-3-one
CID 10907758
(1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-7-methylidene-19-triethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicos-17-en-3-one
CID 10918495
(1S,5S,6R,7R,9R,12R,13R,17R,20S)-12,15,15,19,22,22-hexamethyl-20-triethylsilyloxy-7-trimethylsilyloxy-2,4,14,16-tetraoxahexacyclo[16.3.1.01,5.06,12.07,9.013,17]docos-18-en-3-one
CID 10963167
(1S,5S,6S,7R,11R,12R,16R,19S)-7-hydroxy-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicos-17-en-3-one
CID 11006025
(1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one
CID 11071389
(1S,5S,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-6,17-dien-3-one
CID 11071390
(1S,5S,6R,11R,12R,16R,19S)-7,11,14,14,18,21,21-heptamethyl-19-triethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one
CID 11763194
tert-butyl [(1S,2R,5S,6S,16R)-5-[tert-butyl(dimethyl)silyl]oxy-12,12-dimethoxy-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,14-trien-13-yl] carbonate
CID 46854812
(4S,5S)-4-(3-methylbut-2-enyl)-4-[(E)-2-methylpent-3-en-2-yl]-5-[(5S,6S)-6-methyl-6-prop-2-enyl-5-triethylsilyloxycyclohexen-1-yl]-1,3-dioxolan-2-one
CID 132528869

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one?
The IUPAC name of (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one (CID 11135809) is (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one.
What is the SMILES notation for (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one?
The canonical SMILES for (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one is CC[Si](CC)(CC)O[C@H]1C[C@@]23OC(=O)O[C@H]2[C@@H]2C(O[Si](C)(C)C)=CCC[C@@]2(C)[C@H]2OC(C)(C)O[C@@H]2C(=C1C)C3(C)C.
What is the InChIKey of (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one?
The InChIKey is AHLXZEVTMRAROW-JEEDQLLKSA-N. The full InChI is InChI=1S/C32H54O7Si2/c1-13-41(14-2,15-3)39-22-19-32-26(34-28(33)37-32)24-21(38-40(10,11)12)17-16-18-31(24,9)27-25(35-30(7,8)36-27)23(20(22)4)29(32,5)6/h17,22,24-27H,13-16,18-19H2,1-12H3/t22-,24-,25+,26-,27-,31+,32+/m0/s1.
What are the key properties of (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one?
(1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one has a molecular weight of 606.95 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R,11R,12R,16R,19S)-11,14,14,18,21,21-hexamethyl-19-triethylsilyloxy-7-trimethylsilyloxy-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicosa-7,17-dien-3-one is sourced from PubChem (CID 11135809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).