trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane

C15H21NOSi — CID 178122866

IUPACtrimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(C[C@H]2CCOC2)cn1
InChIInChI=1S/C15H21NOSi/c1-18(2,3)9-7-15-5-4-13(11-16-15)10-14-6-8-17-12-14/h4-5,11,14H,6,8,10,12H2,1-3H3/t14-/m1/s1
InChIKeyDVAQNJIRAMCJOJ-CQSZACIVSA-N
MW259.43 g/mol
LogP2.89
Rot. Bonds2

About trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane

trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane (PubChem CID 178122866) has the molecular formula C15H21NOSi and a molecular weight of 259.43 g/mol. Its IUPAC name is trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane
PubChem CID178122866
Molecular FormulaC15H21NOSi
Molecular Weight259.43 g/mol
Exact Mass259.14
IUPAC Nametrimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(C[C@H]2CCOC2)cn1
InChIInChI=1S/C15H21NOSi/c1-18(2,3)9-7-15-5-4-13(11-16-15)10-14-6-8-17-12-14/h4-5,11,14H,6,8,10,12H2,1-3H3/t14-/m1/s1
InChIKeyDVAQNJIRAMCJOJ-CQSZACIVSA-N
XLogP2.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(oxolan-3-ylmethyl)pyridine
CID 170611002
N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 177212490
1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol
CID 69330766
4-(oxolan-3-ylmethyl)benzaldehyde
CID 105444209
[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987913
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 103988061
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987689
3-ethyloxolane
CID 10996972
1-(5-ethyl-2-pyridinyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987022
6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid
CID 175960431
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085315

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane (CID 178122866) is trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane is C[Si](C)(C)C#Cc1ccc(C[C@H]2CCOC2)cn1.
What is the InChIKey of trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane?
The InChIKey is DVAQNJIRAMCJOJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NOSi/c1-18(2,3)9-7-15-5-4-13(11-16-15)10-14-6-8-17-12-14/h4-5,11,14H,6,8,10,12H2,1-3H3/t14-/m1/s1.
What are the key properties of trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane?
trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane has a molecular weight of 259.43 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[5-[[(3S)-oxolan-3-yl]methyl]-2-pyridinyl]ethynyl]silane is sourced from PubChem (CID 178122866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).