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

C18H34O2Si — CID 134870697

IUPACtert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
SMILESCCCCC/C=C/[C@H]1CCC=C(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H34O2Si/c1-7-8-9-10-11-13-16-14-12-15-17(19-16)20-21(5,6)18(2,3)4/h11,13,15-16H,7-10,12,14H2,1-6H3/b13-11+/t16-/m0/s1
InChIKeyORHYMNCTISKLMG-BYIUCRAPSA-N
MW310.55 g/mol
LogP6.17
Rot. Bonds7

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

tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane (PubChem CID 134870697) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
PubChem CID134870697
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
SMILESCCCCC/C=C/[C@H]1CCC=C(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H34O2Si/c1-7-8-9-10-11-13-16-14-12-15-17(19-16)20-21(5,6)18(2,3)4/h11,13,15-16H,7-10,12,14H2,1-6H3/b13-11+/t16-/m0/s1
InChIKeyORHYMNCTISKLMG-BYIUCRAPSA-N
XLogP6.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 56.17
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'}

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Related Compounds

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CID 14907853
tert-butyl-[(Z)-1-cyclohex-2-en-1-yloxyprop-1-enoxy]-dimethylsilane
CID 14907854
tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane
CID 134840408
tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane
CID 134840461
[(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134870724
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane (CID 134870697) is tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane is CCCCC/C=C/[C@H]1CCC=C(O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane?
The InChIKey is ORHYMNCTISKLMG-BYIUCRAPSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-7-8-9-10-11-13-16-14-12-15-17(19-16)20-21(5,6)18(2,3)4/h11,13,15-16H,7-10,12,14H2,1-6H3/b13-11+/t16-/m0/s1.
What are the key properties of tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane has a molecular weight of 310.55 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane is sourced from PubChem (CID 134870697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).