6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane

C76H112O18Si3 — CID 158951568

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane
SMILESC.C#CCC(CC#C)(C(=O)OCC)C(=O)OCC.CC(C)(C)[Si](C)(C)OCC#CC#CCO.CCOC(=O)C1(C(=O)OCC)Cc2cc(C#CCO)c(CO[Si](C)(C)C(C)(C)C)cc2C1.CCOC(=O)C1(C(=O)OCC)Cc2cc(C#CCO[Si](C)(C)C(C)(C)C)c(CO)cc2C1
InChIInChI=1S/2C25H36O6Si.C13H16O4.C12H20O2Si.CH4/c1-8-29-22(27)25(23(28)30-9-2)15-19-13-18(21(17-26)14-20(19)16-25)11-10-12-31-32(6,7)24(3,4)5;1-8-29-22(27)25(23(28)30-9-2)15-19-13-18(11-10-12-26)21(14-20(19)16-25)17-31-32(6,7)24(3,4)5;1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4;1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;/h2*13-14,26H,8-9,12,15-17H2,1-7H3;1-2H,7-10H2,3-4H3;13H,10-11H2,1-5H3;1H4
InChIKeyJLMLLSKOGQAANF-UHFFFAOYSA-N
MW1397.97 g/mol
LogP11.32
Rot. Bonds22

About 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane

6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane (PubChem CID 158951568) has the molecular formula C76H112O18Si3 and a molecular weight of 1397.97 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane
PubChem CID158951568
Molecular FormulaC76H112O18Si3
Molecular Weight1397.97 g/mol
Exact Mass1396.72
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane
SMILESC.C#CCC(CC#C)(C(=O)OCC)C(=O)OCC.CC(C)(C)[Si](C)(C)OCC#CC#CCO.CCOC(=O)C1(C(=O)OCC)Cc2cc(C#CCO)c(CO[Si](C)(C)C(C)(C)C)cc2C1.CCOC(=O)C1(C(=O)OCC)Cc2cc(C#CCO[Si](C)(C)C(C)(C)C)c(CO)cc2C1
InChIInChI=1S/2C25H36O6Si.C13H16O4.C12H20O2Si.CH4/c1-8-29-22(27)25(23(28)30-9-2)15-19-13-18(21(17-26)14-20(19)16-25)11-10-12-31-32(6,7)24(3,4)5;1-8-29-22(27)25(23(28)30-9-2)15-19-13-18(11-10-12-26)21(14-20(19)16-25)17-31-32(6,7)24(3,4)5;1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4;1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;/h2*13-14,26H,8-9,12,15-17H2,1-7H3;1-2H,7-10H2,3-4H3;13H,10-11H2,1-5H3;1H4
InChIKeyJLMLLSKOGQAANF-UHFFFAOYSA-N
XLogP11.32
TPSA246.18 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001397.97
LogP ≤ 511.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane (CID 158951568) is 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane is C.C#CCC(CC#C)(C(=O)OCC)C(=O)OCC.CC(C)(C)[Si](C)(C)OCC#CC#CCO.CCOC(=O)C1(C(=O)OCC)Cc2cc(C#CCO)c(CO[Si](C)(C)C(C)(C)C)cc2C1.CCOC(=O)C1(C(=O)OCC)Cc2cc(C#CCO[Si](C)(C)C(C)(C)C)c(CO)cc2C1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane?
The InChIKey is JLMLLSKOGQAANF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H36O6Si.C13H16O4.C12H20O2Si.CH4/c1-8-29-22(27)25(23(28)30-9-2)15-19-13-18(21(17-26)14-20(19)16-25)11-10-12-31-32(6,7)24(3,4)5;1-8-29-22(27)25(23(28)30-9-2)15-19-13-18(11-10-12-26)21(14-20(19)16-25)17-31-32(6,7)24(3,4)5;1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4;1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;/h2*13-14,26H,8-9,12,15-17H2,1-7H3;1-2H,7-10H2,3-4H3;13H,10-11H2,1-5H3;1H4.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane?
6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane has a molecular weight of 1397.97 g/mol, XLogP of 11.32, 22 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diyn-1-ol;diethyl 2,2-bis(prop-2-ynyl)propanedioate;diethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxyprop-1-ynyl)-1,3-dihydroindene-2,2-dicarboxylate;diethyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate;methane is sourced from PubChem (CID 158951568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).