3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane

C21H38O2Si — CID 11268152

IUPAC3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)C[C@@H]1C[C@H](OCC#C[Si](C(C)C)(C(C)C)C(C)C)C=CO1
InChIInChI=1S/C21H38O2Si/c1-16(2)14-21-15-20(10-12-23-21)22-11-9-13-24(17(3)4,18(5)6)19(7)8/h10,12,16-21H,11,14-15H2,1-8H3/t20-,21-/m1/s1
InChIKeyJHZSINMVDNRXRC-NHCUHLMSSA-N
MW350.62 g/mol
LogP5.94
Rot. Bonds7

About 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane

3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 11268152) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane
PubChem CID11268152
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)C[C@@H]1C[C@H](OCC#C[Si](C(C)C)(C(C)C)C(C)C)C=CO1
InChIInChI=1S/C21H38O2Si/c1-16(2)14-21-15-20(10-12-23-21)22-11-9-13-24(17(3)4,18(5)6)19(7)8/h10,12,16-21H,11,14-15H2,1-8H3/t20-,21-/m1/s1
InChIKeyJHZSINMVDNRXRC-NHCUHLMSSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4S,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101556891
[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102291861
[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102291863
[2-(2-Butoxyethenyl)-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 123353235
[(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 140601463
3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane
CID 11325581
[(2R,4S)-3,3-dimethyl-2-(2-methylpropyl)-2,4-dihydropyran-4-yl]oxy-tri(propan-2-yl)silane
CID 11336762
3-[[(2R,4R)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 11416830

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane (CID 11268152) is 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane is CC(C)C[C@@H]1C[C@H](OCC#C[Si](C(C)C)(C(C)C)C(C)C)C=CO1.
What is the InChIKey of 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is JHZSINMVDNRXRC-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-16(2)14-21-15-20(10-12-23-21)22-11-9-13-24(17(3)4,18(5)6)19(7)8/h10,12,16-21H,11,14-15H2,1-8H3/t20-,21-/m1/s1.
What are the key properties of 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane?
3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 350.62 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11268152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).