tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane

C15H26N2OSi — CID 153429891

IUPACtert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane
SMILESCc1cnc(/C=C/CCO[Si](C)(C)C(C)(C)C)nc1
InChIInChI=1S/C15H26N2OSi/c1-13-11-16-14(17-12-13)9-7-8-10-18-19(5,6)15(2,3)4/h7,9,11-12H,8,10H2,1-6H3/b9-7+
InChIKeyNAOALPOCEUUOJX-VQHVLOKHSA-N
MW278.47 g/mol
LogP4.21
Rot. Bonds5

About tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane

tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane (PubChem CID 153429891) has the molecular formula C15H26N2OSi and a molecular weight of 278.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane
PubChem CID153429891
Molecular FormulaC15H26N2OSi
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Nametert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane
SMILESCc1cnc(/C=C/CCO[Si](C)(C)C(C)(C)C)nc1
InChIInChI=1S/C15H26N2OSi/c1-13-11-16-14(17-12-13)9-7-8-10-18-19(5,6)15(2,3)4/h7,9,11-12H,8,10H2,1-6H3/b9-7+
InChIKeyNAOALPOCEUUOJX-VQHVLOKHSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(Z)-4-(5-methylpyrimidin-2-yl)-3-nitrobut-3-enoxy]silane
CID 131746748
tert-butyl-[(Z)-4-[tert-butyl(dimethyl)silyl]but-3-enoxy]-dimethylsilane
CID 11702169
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine
CID 131746750
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
(2E,5E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,5-dien-1-ol
CID 10061716
tert-butyl-[(E)-4-fluoropent-3-enoxy]-dimethylsilane
CID 59072765
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol
CID 131746747
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]-5-phenylbenzoic acid
CID 140708617
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane (CID 153429891) is tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane is Cc1cnc(/C=C/CCO[Si](C)(C)C(C)(C)C)nc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane?
The InChIKey is NAOALPOCEUUOJX-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H26N2OSi/c1-13-11-16-14(17-12-13)9-7-8-10-18-19(5,6)15(2,3)4/h7,9,11-12H,8,10H2,1-6H3/b9-7+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane?
tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane has a molecular weight of 278.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane is sourced from PubChem (CID 153429891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).