[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate

C34H67NO7Si6 — CID 615196

IUPAC[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate
SMILESC[Si](C)(C)OC1C(OC(=O)Cc2cn([Si](C)(C)C)c3ccccc23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C34H67NO7Si6/c1-43(2,3)35-24-25(26-21-19-20-22-27(26)35)23-28(36)37-29-30(38-44(4,5)6)32(40-46(10,11)12)34(42-48(16,17)18)33(41-47(13,14)15)31(29)39-45(7,8)9/h19-22,24,29-34H,23H2,1-18H3
InChIKeyKYNBULGUPDREMI-UHFFFAOYSA-N
MW770.43 g/mol
LogP8.89
Rot. Bonds14

About [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate

[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate (PubChem CID 615196) has the molecular formula C34H67NO7Si6 and a molecular weight of 770.43 g/mol. Its IUPAC name is [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate.

Molecular Properties

Compound Name[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate
PubChem CID615196
Molecular FormulaC34H67NO7Si6
Molecular Weight770.43 g/mol
Exact Mass769.35
IUPAC Name[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate
SMILESC[Si](C)(C)OC1C(OC(=O)Cc2cn([Si](C)(C)C)c3ccccc23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C34H67NO7Si6/c1-43(2,3)35-24-25(26-21-19-20-22-27(26)35)23-28(36)37-29-30(38-44(4,5)6)32(40-46(10,11)12)34(42-48(16,17)18)33(41-47(13,14)15)31(29)39-45(7,8)9/h19-22,24,29-34H,23H2,1-18H3
InChIKeyKYNBULGUPDREMI-UHFFFAOYSA-N
XLogP8.89
TPSA77.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.43
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(1-trimethylsilylindol-3-yl)acetamide
CID 608675
methyl 4-(1-trimethylsilylindol-3-yl)butanoate
CID 608683
2-(1-trimethylsilylindol-3-yl)acetonitrile
CID 553531
methyl 2-[1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]indol-3-yl]acetate
CID 77394145
methyl 2-(1-hydroxyindol-3-yl)acetate
CID 15081201
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
2-oxoethyl 2-(1-methylindol-3-yl)acetate
CID 134405663
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(1-methylindol-3-yl)propanoate
CID 166669160
methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetate
CID 598937
tert-butyl (4S)-2,2-dimethyl-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 97135096

Frequently Asked Questions

What is the IUPAC name of [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate?
The IUPAC name of [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate (CID 615196) is [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate.
What is the SMILES notation for [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate?
The canonical SMILES for [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate is C[Si](C)(C)OC1C(OC(=O)Cc2cn([Si](C)(C)C)c3ccccc23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate?
The InChIKey is KYNBULGUPDREMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67NO7Si6/c1-43(2,3)35-24-25(26-21-19-20-22-27(26)35)23-28(36)37-29-30(38-44(4,5)6)32(40-46(10,11)12)34(42-48(16,17)18)33(41-47(13,14)15)31(29)39-45(7,8)9/h19-22,24,29-34H,23H2,1-18H3.
What are the key properties of [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate?
[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate has a molecular weight of 770.43 g/mol, XLogP of 8.89, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate is sourced from PubChem (CID 615196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).