(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol

C18H36O4Si — CID 11559260

IUPAC(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(CC)CO
InChIInChI=1S/C18H36O4Si/c1-10-13(12-19)15(22-23(8,9)17(3,4)5)16-14(11-2)20-18(6,7)21-16/h11,13-16,19H,2,10,12H2,1,3-9H3/t13?,14-,15+,16+/m1/s1
InChIKeyRDVNQRPJGJXZMB-BSLWCIKASA-N
MW344.57 g/mol
LogP4.10
Rot. Bonds7

About (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol

(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol (PubChem CID 11559260) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol
PubChem CID11559260
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(CC)CO
InChIInChI=1S/C18H36O4Si/c1-10-13(12-19)15(22-23(8,9)17(3,4)5)16-14(11-2)20-18(6,7)21-16/h11,13-16,19H,2,10,12H2,1,3-9H3/t13?,14-,15+,16+/m1/s1
InChIKeyRDVNQRPJGJXZMB-BSLWCIKASA-N
XLogP4.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.10
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'}

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Related Compounds

(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
CID 11268781
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol
CID 53248148
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841869
1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 135024857
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,1R,4R)-5-(1,3-dioxolan-2-yl)-1-(methoxymethoxy)-4-methylpent-2-enyl]oxolan-2-yl]methanol
CID 138985050
(2R,3S,4S,5S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(((S)-1-cyclohexylallyl)oxy)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177094
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentane-1,4-diol
CID 11014236
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 11038280
(3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]pent-4-en-1-ol
CID 11760912
(4R,5S)-1-{4-[2-(tert-Butyldimethylsilyloxy)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-5-yl}-(S)-prop-2-en-1-ol
CID 12116174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol?
The IUPAC name of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol (CID 11559260) is (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol.
What is the SMILES notation for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol?
The canonical SMILES for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(CC)CO.
What is the InChIKey of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol?
The InChIKey is RDVNQRPJGJXZMB-BSLWCIKASA-N. The full InChI is InChI=1S/C18H36O4Si/c1-10-13(12-19)15(22-23(8,9)17(3,4)5)16-14(11-2)20-18(6,7)21-16/h11,13-16,19H,2,10,12H2,1,3-9H3/t13?,14-,15+,16+/m1/s1.
What are the key properties of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol?
(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol has a molecular weight of 344.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butan-1-ol is sourced from PubChem (CID 11559260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).