tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane

C15H26O2Si — CID 122400495

IUPACtert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC1C=CCCO1
InChIInChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-13-9-7-11-14-10-6-8-12-16-14/h6,10,14H,8-9,12-13H2,1-5H3
InChIKeyUZSZNJUYHLYPSN-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.75
Rot. Bonds3

About tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane

tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane (PubChem CID 122400495) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane
PubChem CID122400495
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Nametert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC1C=CCCO1
InChIInChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-13-9-7-11-14-10-6-8-12-16-14/h6,10,14H,8-9,12-13H2,1-5H3
InChIKeyUZSZNJUYHLYPSN-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-ethenoxyhex-4-en-1-ynyl]-trimethylsilane
CID 11229338
tert-butyl-[(2Z)-4-methoxy-6-methylhepta-2,5-dienoxy]-dimethylsilane
CID 11572572
tert-butyl-dimethyl-[(E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 134835508
[(E)-4-methoxy-6-trimethylsilylhex-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 134890060
[(E)-4-methoxy-7,7-dimethyloct-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 134890126
(3-Methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
CID 134906247
Tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134906464
Tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134975843
[(E)-4-methoxynon-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 135046086
tert-butyl-(3,6-dihydro-2H-pyran-6-ylmethoxy)-dimethylsilane
CID 135082260
tert-butyl-[(E)-hept-2-en-5-yn-4-yl]oxy-dimethylsilane
CID 176423948
tert-butyl-dimethyl-[(E)-3-(3-methyloxiran-2-yl)prop-2-enoxy]silane
CID 102461532

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane (CID 122400495) is tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC#CC1C=CCCO1.
What is the InChIKey of tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane?
The InChIKey is UZSZNJUYHLYPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-13-9-7-11-14-10-6-8-12-16-14/h6,10,14H,8-9,12-13H2,1-5H3.
What are the key properties of tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane?
tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane has a molecular weight of 266.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(3,6-dihydro-2H-pyran-6-yl)but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 122400495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).