1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol

C23H41NO2Si — CID 67445486

IUPAC1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol
SMILESC=CCC(O)(CCNC(C)C(C)(C)O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H41NO2Si/c1-10-16-23(25,20-14-12-11-13-15-20)17-18-24-19(2)22(6,7)26-27(8,9)21(3,4)5/h10-15,19,24-25H,1,16-18H2,2-9H3
InChIKeyQQFZSVOKYBZXFL-UHFFFAOYSA-N
MW391.67 g/mol
LogP5.62
Rot. Bonds10

About 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol

1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol (PubChem CID 67445486) has the molecular formula C23H41NO2Si and a molecular weight of 391.67 g/mol. Its IUPAC name is 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol
PubChem CID67445486
Molecular FormulaC23H41NO2Si
Molecular Weight391.67 g/mol
Exact Mass391.29
IUPAC Name1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol
SMILESC=CCC(O)(CCNC(C)C(C)(C)O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H41NO2Si/c1-10-16-23(25,20-14-12-11-13-15-20)17-18-24-19(2)22(6,7)26-27(8,9)21(3,4)5/h10-15,19,24-25H,1,16-18H2,2-9H3
InChIKeyQQFZSVOKYBZXFL-UHFFFAOYSA-N
XLogP5.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.67
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
CID 59835981
1-phenylbut-3-ene-1,1-diol
CID 134892936
(3R)-3-(4-fluorophenyl)-1-[[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]amino]hex-5-en-3-ol
CID 89131319
N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide
CID 102043544
trimethyl-[(2R,3S)-3-phenyl-2-trimethylsilyloxyhex-5-en-3-yl]oxysilane
CID 12066571
3-phenylhex-5-ene-2,3-diol;phosphorous acid
CID 67770210
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
2-but-3-en-2-ylperoxypropan-2-ylbenzene
CID 23166979
2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde
CID 10806072
ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 161319985
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol?
The IUPAC name of 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol (CID 67445486) is 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol.
What is the SMILES notation for 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol?
The canonical SMILES for 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol is C=CCC(O)(CCNC(C)C(C)(C)O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol?
The InChIKey is QQFZSVOKYBZXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2Si/c1-10-16-23(25,20-14-12-11-13-15-20)17-18-24-19(2)22(6,7)26-27(8,9)21(3,4)5/h10-15,19,24-25H,1,16-18H2,2-9H3.
What are the key properties of 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol?
1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol has a molecular weight of 391.67 g/mol, XLogP of 5.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol is sourced from PubChem (CID 67445486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).