4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol

C16H31NO2Si — CID 141220101

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CNC1=CCCC=C1
InChIInChI=1S/C16H31NO2Si/c1-16(2,3)20(4,5)19-12-11-15(18)13-17-14-9-7-6-8-10-14/h7,9-10,15,17-18H,6,8,11-13H2,1-5H3
InChIKeyQADJZFHTVSCUMJ-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.58
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol (PubChem CID 141220101) has the molecular formula C16H31NO2Si and a molecular weight of 297.51 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol
PubChem CID141220101
Molecular FormulaC16H31NO2Si
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CNC1=CCCC=C1
InChIInChI=1S/C16H31NO2Si/c1-16(2,3)20(4,5)19-12-11-15(18)13-17-14-9-7-6-8-10-14/h7,9-10,15,17-18H,6,8,11-13H2,1-5H3
InChIKeyQADJZFHTVSCUMJ-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
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 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol (CID 141220101) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol is CC(C)(C)[Si](C)(C)OCCC(O)CNC1=CCCC=C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol?
The InChIKey is QADJZFHTVSCUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2Si/c1-16(2,3)20(4,5)19-12-11-15(18)13-17-14-9-7-6-8-10-14/h7,9-10,15,17-18H,6,8,11-13H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol has a molecular weight of 297.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol is sourced from PubChem (CID 141220101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).