2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one

C21H31NO2Si — CID 71285516

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)CCCCC3=O
InChIInChI=1S/C21H31NO2Si/c1-21(2,3)25(5,6)24-14-17-11-16-12-18-15(13-19(16)22(17)4)9-7-8-10-20(18)23/h11-13H,7-10,14H2,1-6H3
InChIKeyQBELFRKYYXEQPT-UHFFFAOYSA-N
MW357.57 g/mol
LogP5.61
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one (PubChem CID 71285516) has the molecular formula C21H31NO2Si and a molecular weight of 357.57 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one
PubChem CID71285516
Molecular FormulaC21H31NO2Si
Molecular Weight357.57 g/mol
Exact Mass357.21
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)CCCCC3=O
InChIInChI=1S/C21H31NO2Si/c1-21(2,3)25(5,6)24-14-17-11-16-12-18-15(13-19(16)22(17)4)9-7-8-10-20(18)23/h11-13H,7-10,14H2,1-6H3
InChIKeyQBELFRKYYXEQPT-UHFFFAOYSA-N
XLogP5.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.57
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one (CID 71285516) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one is Cn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)CCCCC3=O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one?
The InChIKey is QBELFRKYYXEQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2Si/c1-21(2,3)25(5,6)24-14-17-11-16-12-18-15(13-19(16)22(17)4)9-7-8-10-20(18)23/h11-13H,7-10,14H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one has a molecular weight of 357.57 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one is sourced from PubChem (CID 71285516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).