tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane

C21H29N3OSi — CID 164522217

IUPACtert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane
SMILESCCN1CNN=C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29N3OSi/c1-5-24-17-22-23-20(24)16-25-26(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,22H,5,16-17H2,1-4H3
InChIKeyYEMVDTKSKZUNFS-UHFFFAOYSA-N
MW367.57 g/mol
LogP2.76
Rot. Bonds6

About tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane

tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane (PubChem CID 164522217) has the molecular formula C21H29N3OSi and a molecular weight of 367.57 g/mol. Its IUPAC name is tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane
PubChem CID164522217
Molecular FormulaC21H29N3OSi
Molecular Weight367.57 g/mol
Exact Mass367.21
IUPAC Nametert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane
SMILESCCN1CNN=C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29N3OSi/c1-5-24-17-22-23-20(24)16-25-26(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,22H,5,16-17H2,1-4H3
InChIKeyYEMVDTKSKZUNFS-UHFFFAOYSA-N
XLogP2.76
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
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[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
CID 178119164
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
CID 154408419
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
CID 134866999
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
tert-butyl-(2-iodoethoxy)-diphenylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane (CID 164522217) is tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane is CCN1CNN=C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane?
The InChIKey is YEMVDTKSKZUNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OSi/c1-5-24-17-22-23-20(24)16-25-26(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,22H,5,16-17H2,1-4H3.
What are the key properties of tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane?
tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane has a molecular weight of 367.57 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 164522217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).