6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol

C20H35NO2Si — CID 10980996

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC(CCCCC(O)c1cccnc1)C1CC1
InChIInChI=1S/C20H35NO2Si/c1-20(2,3)24(4,5)23-19(16-12-13-16)11-7-6-10-18(22)17-9-8-14-21-15-17/h8-9,14-16,18-19,22H,6-7,10-13H2,1-5H3
InChIKeyGKIJCXUZWDJQPY-UHFFFAOYSA-N
MW349.59 g/mol
LogP5.48
Rot. Bonds9

About 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol

6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol (PubChem CID 10980996) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol
PubChem CID10980996
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC(CCCCC(O)c1cccnc1)C1CC1
InChIInChI=1S/C20H35NO2Si/c1-20(2,3)24(4,5)23-19(16-12-13-16)11-7-6-10-18(22)17-9-8-14-21-15-17/h8-9,14-16,18-19,22H,6-7,10-13H2,1-5H3
InChIKeyGKIJCXUZWDJQPY-UHFFFAOYSA-N
XLogP5.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol (CID 10980996) is 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol is CC(C)(C)[Si](C)(C)OC(CCCCC(O)c1cccnc1)C1CC1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol?
The InChIKey is GKIJCXUZWDJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-20(2,3)24(4,5)23-19(16-12-13-16)11-7-6-10-18(22)17-9-8-14-21-15-17/h8-9,14-16,18-19,22H,6-7,10-13H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol?
6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol has a molecular weight of 349.59 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-6-cyclopropyl-1-pyridin-3-ylhexan-1-ol is sourced from PubChem (CID 10980996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).