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

C14H26O2Si — CID 134892827

IUPACtert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane
SMILESC/C=C/[C@H]1CCC=C(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O2Si/c1-7-9-12-10-8-11-13(15-12)16-17(5,6)14(2,3)4/h7,9,11-12H,8,10H2,1-6H3/b9-7+/t12-/m0/s1
InChIKeyPQWQRTGQSWHPFU-CRALRDPISA-N
MW254.45 g/mol
LogP4.60
Rot. Bonds3

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

tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane (PubChem CID 134892827) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane
PubChem CID134892827
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane
SMILESC/C=C/[C@H]1CCC=C(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O2Si/c1-7-9-12-10-8-11-13(15-12)16-17(5,6)14(2,3)4/h7,9,11-12H,8,10H2,1-6H3/b9-7+/t12-/m0/s1
InChIKeyPQWQRTGQSWHPFU-CRALRDPISA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.60
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

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
[(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-[[(2S,3R)-2-ethenyl-3-methoxy-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134892749
tert-butyl-[[(2R)-2-ethenyl-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134892774
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 tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane (CID 134892827) is tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane is C/C=C/[C@H]1CCC=C(O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane?
The InChIKey is PQWQRTGQSWHPFU-CRALRDPISA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-9-12-10-8-11-13(15-12)16-17(5,6)14(2,3)4/h7,9,11-12H,8,10H2,1-6H3/b9-7+/t12-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane?
tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane has a molecular weight of 254.45 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R)-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]silane is sourced from PubChem (CID 134892827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).