[(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane

C16H30O2Si — CID 134870724

IUPAC[(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC/C=C/[C@H]1CCC(C)=C(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O2Si/c1-8-9-10-14-12-11-13(2)15(17-14)18-19(6,7)16(3,4)5/h9-10,14H,8,11-12H2,1-7H3/b10-9+/t14-/m0/s1
InChIKeyVGQIOTNGPALGDH-HBWSCVEGSA-N
MW282.50 g/mol
LogP5.38
Rot. Bonds4

About [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane

[(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134870724) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134870724
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC/C=C/[C@H]1CCC(C)=C(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O2Si/c1-8-9-10-14-12-11-13(2)15(17-14)18-19(6,7)16(3,4)5/h9-10,14H,8,11-12H2,1-7H3/b10-9+/t14-/m0/s1
InChIKeyVGQIOTNGPALGDH-HBWSCVEGSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
CID 11381411
tert-butyl-[(E)-1-cyclohex-2-en-1-yloxyprop-1-enoxy]-dimethylsilane
CID 14907853
tert-butyl-[(Z)-1-cyclohex-2-en-1-yloxyprop-1-enoxy]-dimethylsilane
CID 14907854
tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134870697
tert-butyl-[[(2R)-2-ethenyl-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134892748
tert-butyl-[[(2R)-2-ethenyl-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134892774
tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane
CID 134892827
trimethyl-[(E)-2-methyl-1-[(1R)-3-methylcyclohex-2-en-1-yl]oxybut-1-enoxy]silane
CID 135018697
trimethyl-[(Z)-2-methyl-1-[(1S)-3-methylcyclohex-2-en-1-yl]oxybut-1-enoxy]silane
CID 135019034
[(E)-1-[(1R)-cyclohex-2-en-1-yl]oxy-2-methylbut-1-enoxy]-trimethylsilane
CID 135019035
[(Z)-1-[(1R)-cyclohex-2-en-1-yl]oxy-2-methylbut-1-enoxy]-trimethylsilane
CID 135040285
trimethyl-[(E)-2-methyl-1-[(1S)-3-methylcyclohex-2-en-1-yl]oxybut-1-enoxy]silane
CID 135040336

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane (CID 134870724) is [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane is CC/C=C/[C@H]1CCC(C)=C(O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is VGQIOTNGPALGDH-HBWSCVEGSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-9-10-14-12-11-13(2)15(17-14)18-19(6,7)16(3,4)5/h9-10,14H,8,11-12H2,1-7H3/b10-9+/t14-/m0/s1.
What are the key properties of [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane?
[(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134870724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).