(1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one

C19H34O4Si — CID 11142782

IUPAC(1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one
SMILESCCCC(=O)C[C@@H](O)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C19H34O4Si/c1-7-8-13(20)11-15(21)18-14(16-9-10-17(18)23-16)12-22-24(5,6)19(2,3)4/h9-10,14-18,21H,7-8,11-12H2,1-6H3/t14-,15-,16-,17+,18+/m1/s1
InChIKeyUCZIQYDLLACPQS-DZVNLGKHSA-N
MW354.56 g/mol
LogP3.70
Rot. Bonds8

About (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one

(1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one (PubChem CID 11142782) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one.

Molecular Properties

Compound Name(1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one
PubChem CID11142782
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name(1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one
SMILESCCCC(=O)C[C@@H](O)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C19H34O4Si/c1-7-8-13(20)11-15(21)18-14(16-9-10-17(18)23-16)12-22-24(5,6)19(2,3)4/h9-10,14-18,21H,7-8,11-12H2,1-6H3/t14-,15-,16-,17+,18+/m1/s1
InChIKeyUCZIQYDLLACPQS-DZVNLGKHSA-N
XLogP3.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11176597
(E,1S)-1-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1-hydroxynonadec-4-en-3-one
CID 57409946
[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
CID 11160591
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one
CID 25132500
trans-(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropan-1-amine
CID 15042667
tert-butyl-[[(2R,6R)-2-[[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-2-yl]methyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]methoxy]-dimethylsilane
CID 134979961
2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid
CID 162143782
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
tert-butyl N-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]carbamate
CID 10992613
8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-diethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
CID 10386422
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one?
The IUPAC name of (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one (CID 11142782) is (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one.
What is the SMILES notation for (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one?
The canonical SMILES for (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one is CCCC(=O)C[C@@H](O)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2.
What is the InChIKey of (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one?
The InChIKey is UCZIQYDLLACPQS-DZVNLGKHSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-7-8-13(20)11-15(21)18-14(16-9-10-17(18)23-16)12-22-24(5,6)19(2,3)4/h9-10,14-18,21H,7-8,11-12H2,1-6H3/t14-,15-,16-,17+,18+/m1/s1.
What are the key properties of (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one?
(1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one has a molecular weight of 354.56 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]-1-hydroxyhexan-3-one is sourced from PubChem (CID 11142782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).