trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol

C16H32O2Si — CID 134930587

IUPACtrans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol
SMILESC/C=C/[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-10-11-15(12-16(15,17)13(2,3)4)18-19(8,9)14(5,6)7/h10-11,17H,12H2,1-9H3/b11-10+/t15-,16-/m1/s1
InChIKeyMMMKUJHRZYRKDN-NUPWCOBBSA-N
MW284.52 g/mol
LogP4.50
Rot. Bonds3

About trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol

trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol (PubChem CID 134930587) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol
PubChem CID134930587
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametrans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol
SMILESC/C=C/[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-10-11-15(12-16(15,17)13(2,3)4)18-19(8,9)14(5,6)7/h10-11,17H,12H2,1-9H3/b11-10+/t15-,16-/m1/s1
InChIKeyMMMKUJHRZYRKDN-NUPWCOBBSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
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

1-bicyclo[1.1.1]pentanyloxy-tert-butyl-dimethylsilane
CID 174174043
1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 67592724
[(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11128944
1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol
CID 11208694
tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]oxy-dimethylsilane
CID 141193020
[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate
CID 101178879
5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 102147244
tert-butyl-[(1S,2S)-1-ethyl-2-methylcyclopropyl]oxy-dimethylsilane
CID 101080937
(1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol
CID 11141017
bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium
CID 23727145
tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
CID 22447738

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol?
The IUPAC name of trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol (CID 134930587) is trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol is C/C=C/[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C(C)(C)C.
What is the InChIKey of trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol?
The InChIKey is MMMKUJHRZYRKDN-NUPWCOBBSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-10-11-15(12-16(15,17)13(2,3)4)18-19(8,9)14(5,6)7/h10-11,17H,12H2,1-9H3/b11-10+/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol?
trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol is sourced from PubChem (CID 134930587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).