(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one

C15H28O4Si — CID 102273506

IUPAC(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one
SMILESCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(=O)O1
InChIInChI=1S/C15H28O4Si/c1-7-8-9-10-12(13-11-17-14(16)18-13)19-20(5,6)15(2,3)4/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+/t12-,13+/m0/s1
InChIKeySUQCGHVROGARQO-CCJARXIYSA-N
MW300.47 g/mol
LogP4.27
Rot. Bonds6

About (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one

(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one (PubChem CID 102273506) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one
PubChem CID102273506
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one
SMILESCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(=O)O1
InChIInChI=1S/C15H28O4Si/c1-7-8-9-10-12(13-11-17-14(16)18-13)19-20(5,6)15(2,3)4/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+/t12-,13+/m0/s1
InChIKeySUQCGHVROGARQO-CCJARXIYSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 134972339
[(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] methyl carbonate
CID 135014723
[(E,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-triethylsilyloxybut-2-enyl] methyl carbonate
CID 135014807
(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11779714
tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane
CID 58766039
[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 10054323
methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 10570411
[(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10754547
[(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10803013
methyl (Z)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10925568

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one (CID 102273506) is (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one is CCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(=O)O1.
What is the InChIKey of (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one?
The InChIKey is SUQCGHVROGARQO-CCJARXIYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-7-8-9-10-12(13-11-17-14(16)18-13)19-20(5,6)15(2,3)4/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+/t12-,13+/m0/s1.
What are the key properties of (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one?
(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one has a molecular weight of 300.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 102273506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).