tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate

C29H45NO3Si — CID 102202920

IUPACtert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate
SMILESCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)CC(C)c2c(c3ccccc3n2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C29H45NO3Si/c1-18(2)34(19(3)4,20(5)6)33-26-17-22(8)27-24(16-21(26)7)23-14-12-13-15-25(23)30(27)28(31)32-29(9,10)11/h12-15,18-20,22H,16-17H2,1-11H3
InChIKeyPHOVOUMXOOLKHV-UHFFFAOYSA-N
MW483.77 g/mol
LogP8.94
Rot. Bonds5

About tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate

tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate (PubChem CID 102202920) has the molecular formula C29H45NO3Si and a molecular weight of 483.77 g/mol. Its IUPAC name is tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate
PubChem CID102202920
Molecular FormulaC29H45NO3Si
Molecular Weight483.77 g/mol
Exact Mass483.32
IUPAC Nametert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate
SMILESCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)CC(C)c2c(c3ccccc3n2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C29H45NO3Si/c1-18(2)34(19(3)4,20(5)6)33-26-17-22(8)27-24(16-21(26)7)23-14-12-13-15-25(23)30(27)28(31)32-29(9,10)11/h12-15,18-20,22H,16-17H2,1-11H3
InChIKeyPHOVOUMXOOLKHV-UHFFFAOYSA-N
XLogP8.94
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.77
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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CID 102202923
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tert-butyl 5-methyl-6-oxo-7H-indolo[3,2-d][1]benzazepine-12-carboxylate
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CID 59052066
tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
CID 162263594
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CID 15102329
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CID 45103025
tert-butyl 2,3-dichloroindole-1-carboxylate
CID 122227437
tert-butyl pyrido[2,3-b]indole-9-carboxylate
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tert-butyl (5S,6R)-6-ethyl-5-hydroxy-4-oxo-3-[(1S)-1-phenylethyl]-1,2,5,6-tetrahydroazocino[5,4-b]indole-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate?
The IUPAC name of tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate (CID 102202920) is tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate.
What is the SMILES notation for tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate?
The canonical SMILES for tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate is CC1=C(O[Si](C(C)C)(C(C)C)C(C)C)CC(C)c2c(c3ccccc3n2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate?
The InChIKey is PHOVOUMXOOLKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45NO3Si/c1-18(2)34(19(3)4,20(5)6)33-26-17-22(8)27-24(16-21(26)7)23-14-12-13-15-25(23)30(27)28(31)32-29(9,10)11/h12-15,18-20,22H,16-17H2,1-11H3.
What are the key properties of tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate?
tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate has a molecular weight of 483.77 g/mol, XLogP of 8.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate is sourced from PubChem (CID 102202920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).