[5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol

C23H31NO3Si — CID 142479778

IUPAC[5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCOc1ccc(C#Cc2ccc(CO)nc2)cc1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)27-16-6-15-26-22-13-10-19(11-14-22)7-8-20-9-12-21(18-25)24-17-20/h9-14,17,25H,6,15-16,18H2,1-5H3
InChIKeyPPLOBHOCZPHPAO-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.76
Rot. Bonds7

About [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol

[5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol (PubChem CID 142479778) has the molecular formula C23H31NO3Si and a molecular weight of 397.59 g/mol. Its IUPAC name is [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol
PubChem CID142479778
Molecular FormulaC23H31NO3Si
Molecular Weight397.59 g/mol
Exact Mass397.21
IUPAC Name[5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCOc1ccc(C#Cc2ccc(CO)nc2)cc1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)27-16-6-15-26-22-13-10-19(11-14-22)7-8-20-9-12-21(18-25)24-17-20/h9-14,17,25H,6,15-16,18H2,1-5H3
InChIKeyPPLOBHOCZPHPAO-UHFFFAOYSA-N
XLogP4.76
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethynyl]aniline
CID 16659289
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-pyridinyl]methanol
CID 168916688
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
CID 58324093
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
CID 46848785
3-[4-[2-[6-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-3-pyridinyl]ethynyl]phenoxy]propan-1-ol
CID 142479819
tert-butyl-dimethyl-[3-(1-methylindazol-6-yl)oxypropoxy]silane
CID 176655957
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410

Frequently Asked Questions

What is the IUPAC name of [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol?
The IUPAC name of [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol (CID 142479778) is [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol is CC(C)(C)[Si](C)(C)OCCCOc1ccc(C#Cc2ccc(CO)nc2)cc1.
What is the InChIKey of [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol?
The InChIKey is PPLOBHOCZPHPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)27-16-6-15-26-22-13-10-19(11-14-22)7-8-20-9-12-21(18-25)24-17-20/h9-14,17,25H,6,15-16,18H2,1-5H3.
What are the key properties of [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol?
[5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol has a molecular weight of 397.59 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]ethynyl]-2-pyridinyl]methanol is sourced from PubChem (CID 142479778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).