methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate

C20H31NO3Si — CID 172551958

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate
SMILESCOC(=O)C(CCCc1c[nH]c2ccccc12)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H31NO3Si/c1-20(2,3)25(5,6)24-18(19(22)23-4)13-9-10-15-14-21-17-12-8-7-11-16(15)17/h7-8,11-12,14,18,21H,9-10,13H2,1-6H3
InChIKeyYRSOSLRPGGQWJC-UHFFFAOYSA-N
MW361.56 g/mol
LogP5.05
Rot. Bonds7

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate (PubChem CID 172551958) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate
PubChem CID172551958
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate
SMILESCOC(=O)C(CCCc1c[nH]c2ccccc12)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H31NO3Si/c1-20(2,3)25(5,6)24-18(19(22)23-4)13-9-10-15-14-21-17-12-8-7-11-16(15)17/h7-8,11-12,14,18,21H,9-10,13H2,1-6H3
InChIKeyYRSOSLRPGGQWJC-UHFFFAOYSA-N
XLogP5.05
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.56
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
4-(1H-indol-3-yl)butanamide
CID 588715
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
dimethyl 2-[3-(1H-indol-3-yl)propyl]-2-iodopropanedioate
CID 146165215
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
tert-butyl 2-cyano-4-(1H-indol-3-yl)butanoate
CID 25135384
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate (CID 172551958) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate is COC(=O)C(CCCc1c[nH]c2ccccc12)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate?
The InChIKey is YRSOSLRPGGQWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-20(2,3)25(5,6)24-18(19(22)23-4)13-9-10-15-14-21-17-12-8-7-11-16(15)17/h7-8,11-12,14,18,21H,9-10,13H2,1-6H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate has a molecular weight of 361.56 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(1H-indol-3-yl)pentanoate is sourced from PubChem (CID 172551958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).