tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane

C15H28O2Si — CID 14633649

IUPACtert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
SMILESC/C=C/C=C/[C@]1(OC)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-8-9-10-11-15(16-5)12-13(15)17-18(6,7)14(2,3)4/h8-11,13H,12H2,1-7H3/b9-8+,11-10+/t13-,15+/m1/s1
InChIKeyBCGKLGYSSDEKNM-BNYUAJJPSA-N
MW268.47 g/mol
LogP4.30
Rot. Bonds5

About tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane (PubChem CID 14633649) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
PubChem CID14633649
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
SMILESC/C=C/C=C/[C@]1(OC)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-8-9-10-11-15(16-5)12-13(15)17-18(6,7)14(2,3)4/h8-11,13H,12H2,1-7H3/b9-8+,11-10+/t13-,15+/m1/s1
InChIKeyBCGKLGYSSDEKNM-BNYUAJJPSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
tert-butyl-[(3R,4E)-3-methoxyhepta-4,6-dienoxy]-dimethylsilane
CID 140142858
tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide
CID 163775420
[(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane
CID 10564007
tert-butyl-dimethyl-[[(2S,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10586275
tert-butyl-dimethyl-[[(2R,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10586276
tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane
CID 10609428
[(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 10914676
tert-butyl-[(1S)-1-[(2R)-4-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane
CID 11436750
[(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11470545
tert-butyl-dimethyl-[(1S)-1-[(2R)-4-prop-1-en-2-yl-2,5-dihydrofuran-2-yl]ethoxy]silane
CID 12990077
tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane
CID 12992190

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane (CID 14633649) is tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane is C/C=C/C=C/[C@]1(OC)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane?
The InChIKey is BCGKLGYSSDEKNM-BNYUAJJPSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-9-10-11-15(16-5)12-13(15)17-18(6,7)14(2,3)4/h8-11,13H,12H2,1-7H3/b9-8+,11-10+/t13-,15+/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane?
tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane has a molecular weight of 268.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 14633649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).