methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate

C30H43NO4Si — CID 67412184

IUPACmethyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate
SMILESCOC(=O)C[C@@H](CCOCc1ccccc1)c1cc2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2[nH]1
InChIInChI=1S/C30H43NO4Si/c1-21(2)36(22(3)4,23(5)6)35-27-13-14-28-26(17-27)18-29(31-28)25(19-30(32)33-7)15-16-34-20-24-11-9-8-10-12-24/h8-14,17-18,21-23,25,31H,15-16,19-20H2,1-7H3/t25-/m1/s1
InChIKeyRLGONGIXQTVGGO-RUZDIDTESA-N
MW509.76 g/mol
LogP7.98
Rot. Bonds13

About methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate

methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate (PubChem CID 67412184) has the molecular formula C30H43NO4Si and a molecular weight of 509.76 g/mol. Its IUPAC name is methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate.

Molecular Properties

Compound Namemethyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate
PubChem CID67412184
Molecular FormulaC30H43NO4Si
Molecular Weight509.76 g/mol
Exact Mass509.30
IUPAC Namemethyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate
SMILESCOC(=O)C[C@@H](CCOCc1ccccc1)c1cc2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2[nH]1
InChIInChI=1S/C30H43NO4Si/c1-21(2)36(22(3)4,23(5)6)35-27-13-14-28-26(17-27)18-29(31-28)25(19-30(32)33-7)15-16-34-20-24-11-9-8-10-12-24/h8-14,17-18,21-23,25,31H,15-16,19-20H2,1-7H3/t25-/m1/s1
InChIKeyRLGONGIXQTVGGO-RUZDIDTESA-N
XLogP7.98
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.76
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[4-methoxy-4-oxo-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 20775652
methyl (3R)-3-hydroxy-7-phenylmethoxyhept-4-ynoate
CID 135066038
methyl (3S)-3-(1H-indol-2-yl)-3-phenylpropanoate
CID 102574001
methyl 8-phenylmethoxyoctanoate
CID 562206
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
CID 3921208
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
methyl 3-[3,5-bis(phenylmethoxy)phenyl]butanoate
CID 171372762
methyl (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxyheptanoate
CID 11415120
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013
methyl 2-chloro-4-phenylmethoxybutanoate
CID 121009270

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate?
The IUPAC name of methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate (CID 67412184) is methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate.
What is the SMILES notation for methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate?
The canonical SMILES for methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate is COC(=O)C[C@@H](CCOCc1ccccc1)c1cc2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2[nH]1.
What is the InChIKey of methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate?
The InChIKey is RLGONGIXQTVGGO-RUZDIDTESA-N. The full InChI is InChI=1S/C30H43NO4Si/c1-21(2)36(22(3)4,23(5)6)35-27-13-14-28-26(17-27)18-29(31-28)25(19-30(32)33-7)15-16-34-20-24-11-9-8-10-12-24/h8-14,17-18,21-23,25,31H,15-16,19-20H2,1-7H3/t25-/m1/s1.
What are the key properties of methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate?
methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate has a molecular weight of 509.76 g/mol, XLogP of 7.98, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-phenylmethoxy-3-[5-tri(propan-2-yl)silyloxy-1H-indol-2-yl]pentanoate is sourced from PubChem (CID 67412184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).