(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol

C27H33NO2Si — CID 56996652

IUPAC(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol
SMILESCC(=Cc1cccnc1)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H33NO2Si/c1-22(20-23-12-11-18-28-21-23)26(17-19-29)30-31(27(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-16,18,20-21,26,29H,17,19H2,1-4H3/t26-/m0/s1
InChIKeyCWZDSMCMHGRNTG-SANMLTNESA-N
MW431.65 g/mol
LogP4.81
Rot. Bonds8

About (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol

(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol (PubChem CID 56996652) has the molecular formula C27H33NO2Si and a molecular weight of 431.65 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol
PubChem CID56996652
Molecular FormulaC27H33NO2Si
Molecular Weight431.65 g/mol
Exact Mass431.23
IUPAC Name(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol
SMILESCC(=Cc1cccnc1)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H33NO2Si/c1-22(20-23-12-11-18-28-21-23)26(17-19-29)30-31(27(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-16,18,20-21,26,29H,17,19H2,1-4H3/t26-/m0/s1
InChIKeyCWZDSMCMHGRNTG-SANMLTNESA-N
XLogP4.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(E,3S)-5-iodo-2-methyl-1-pyridin-3-ylpent-1-en-3-yl]oxy-diphenylsilane
CID 68951593
tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane
CID 70199618
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-enyl]-triphenylphosphanium
CID 173129284
(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 68953491
tert-butyl-[(E,3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-pyridin-4-ylpent-1-en-3-yl]oxy-diphenylsilane
CID 68947226
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-2-ylpent-4-enyl]-triphenylphosphanium iodide
CID 173080426
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
[(E)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-triphenylphosphanium iodide
CID 22244431
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
CID 15321594
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol?
The IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol (CID 56996652) is (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol?
The canonical SMILES for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol is CC(=Cc1cccnc1)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol?
The InChIKey is CWZDSMCMHGRNTG-SANMLTNESA-N. The full InChI is InChI=1S/C27H33NO2Si/c1-22(20-23-12-11-18-28-21-23)26(17-19-29)30-31(27(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-16,18,20-21,26,29H,17,19H2,1-4H3/t26-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol?
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol has a molecular weight of 431.65 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol is sourced from PubChem (CID 56996652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).