(1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol

C13H26O4Si — CID 10869506

IUPAC(1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol
SMILESC=C[C@H](OCOCC[Si](C)(C)C)[C@@H](O)[C@H]1O[C@@H]1C
InChIInChI=1S/C13H26O4Si/c1-6-11(12(14)13-10(2)17-13)16-9-15-7-8-18(3,4)5/h6,10-14H,1,7-9H2,2-5H3/t10-,11+,12-,13+/m1/s1
InChIKeyOVSMBELAPCXQCY-XQHKEYJVSA-N
MW274.43 g/mol
LogP2.02
Rot. Bonds9

About (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol

(1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol (PubChem CID 10869506) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol
PubChem CID10869506
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol
SMILESC=C[C@H](OCOCC[Si](C)(C)C)[C@@H](O)[C@H]1O[C@@H]1C
InChIInChI=1S/C13H26O4Si/c1-6-11(12(14)13-10(2)17-13)16-9-15-7-8-18(3,4)5/h6,10-14H,1,7-9H2,2-5H3/t10-,11+,12-,13+/m1/s1
InChIKeyOVSMBELAPCXQCY-XQHKEYJVSA-N
XLogP2.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(3R)-2-methyl-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol
CID 134971279
2-[Tert-butyl(dimethyl)silyl]oxy-1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
CID 14188247
(2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol
CID 162517827
(4R,5R,6R)-6-ethenyl-5-(2-trimethylsilylethoxy)oxane-2,4-diol
CID 10730088
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 10733180
(1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 10855980
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 11150821
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 11426631
(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol
CID 11709271
(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol
CID 11791487
(2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol
CID 11843726

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol?
The IUPAC name of (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol (CID 10869506) is (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol.
What is the SMILES notation for (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol?
The canonical SMILES for (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol is C=C[C@H](OCOCC[Si](C)(C)C)[C@@H](O)[C@H]1O[C@@H]1C.
What is the InChIKey of (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol?
The InChIKey is OVSMBELAPCXQCY-XQHKEYJVSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-11(12(14)13-10(2)17-13)16-9-15-7-8-18(3,4)5/h6,10-14H,1,7-9H2,2-5H3/t10-,11+,12-,13+/m1/s1.
What are the key properties of (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol?
(1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol has a molecular weight of 274.43 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol is sourced from PubChem (CID 10869506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).