[9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol

C17H29NO2Si — CID 23157023

IUPAC[9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CC(CO)CCc2cccnc21
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-15-11-13(12-19)8-9-14-7-6-10-18-16(14)15/h6-7,10,13,15,19H,8-9,11-12H2,1-5H3
InChIKeyPOYJIIOIMVZAGL-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.09
Rot. Bonds3

About [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol

[9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol (PubChem CID 23157023) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol
PubChem CID23157023
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name[9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CC(CO)CCc2cccnc21
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-15-11-13(12-19)8-9-14-7-6-10-18-16(14)15/h6-7,10,13,15,19H,8-9,11-12H2,1-5H3
InChIKeyPOYJIIOIMVZAGL-UHFFFAOYSA-N
XLogP4.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
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 [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol?
The IUPAC name of [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol (CID 23157023) is [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol.
What is the SMILES notation for [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol?
The canonical SMILES for [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol is CC(C)(C)[Si](C)(C)OC1CC(CO)CCc2cccnc21.
What is the InChIKey of [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol?
The InChIKey is POYJIIOIMVZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-15-11-13(12-19)8-9-14-7-6-10-18-16(14)15/h6-7,10,13,15,19H,8-9,11-12H2,1-5H3.
What are the key properties of [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol?
[9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol has a molecular weight of 307.51 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol is sourced from PubChem (CID 23157023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).