[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate

C18H27NO3Si — CID 10496894

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate
SMILESCC(=O)Oc1ccc2c(ccn2CCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H27NO3Si/c1-14(20)22-16-7-8-17-15(13-16)9-10-19(17)11-12-21-23(5,6)18(2,3)4/h7-10,13H,11-12H2,1-6H3
InChIKeyMQWDMSJYNLCLFW-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.59
Rot. Bonds5

About [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate (PubChem CID 10496894) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate
PubChem CID10496894
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate
SMILESCC(=O)Oc1ccc2c(ccn2CCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H27NO3Si/c1-14(20)22-16-7-8-17-15(13-16)9-10-19(17)11-12-21-23(5,6)18(2,3)4/h7-10,13H,11-12H2,1-6H3
InChIKeyMQWDMSJYNLCLFW-UHFFFAOYSA-N
XLogP4.59
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl]bismuthane
CID 150452773
(1-ethylindol-5-yl) acetate
CID 57170525
4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
CID 151910538
[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane
CID 151937116
tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
CID 69073629
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603
1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(5-hexoxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide
CID 11272246
4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-pyridinyl]benzoic acid
CID 141411905
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
2-[5-(methylamino)indol-1-yl]ethyl acetate
CID 174496711
5-propan-2-yloxy-1-(2-propoxyethyl)indole
CID 106458095

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate (CID 10496894) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate is CC(=O)Oc1ccc2c(ccn2CCO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate?
The InChIKey is MQWDMSJYNLCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-14(20)22-16-7-8-17-15(13-16)9-10-19(17)11-12-21-23(5,6)18(2,3)4/h7-10,13H,11-12H2,1-6H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate has a molecular weight of 333.50 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate is sourced from PubChem (CID 10496894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).