(4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one

C18H34O5Si — CID 24754867

IUPAC(4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one
SMILESC=C[C@@H]1CC(=O)O[C@@H]1C[C@](C)(CCC(O)C(C)(C)O)O[Si](C)(C)C
InChIInChI=1S/C18H34O5Si/c1-8-13-11-16(20)22-14(13)12-18(4,23-24(5,6)7)10-9-15(19)17(2,3)21/h8,13-15,19,21H,1,9-12H2,2-7H3/t13-,14-,15?,18+/m1/s1
InChIKeyOOEHEZQXJQSWAT-CIBMZMPCSA-N
MW358.55 g/mol
LogP3.02
Rot. Bonds9

About (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one

(4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one (PubChem CID 24754867) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one
PubChem CID24754867
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name(4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one
SMILESC=C[C@@H]1CC(=O)O[C@@H]1C[C@](C)(CCC(O)C(C)(C)O)O[Si](C)(C)C
InChIInChI=1S/C18H34O5Si/c1-8-13-11-16(20)22-14(13)12-18(4,23-24(5,6)7)10-9-15(19)17(2,3)21/h8,13-15,19,21H,1,9-12H2,2-7H3/t13-,14-,15?,18+/m1/s1
InChIKeyOOEHEZQXJQSWAT-CIBMZMPCSA-N
XLogP3.02
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[2,3-Bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one
CID 162820168
5-Dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one
CID 162891340
(1S,6S,9R,13R,14R,15R,17R,19S)-15-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 53328657
(1S,6S,9R,13R,14R,15R,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-15-hydroxy-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 53328658
(3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxyhex-5-enyl)-5-methyloxolan-2-one
CID 156755172
(3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxyhept-6-enyl)-5-methyloxolan-2-one
CID 156755177
(3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxyoct-7-enyl)-5-methyloxolan-2-one
CID 156755181
tert-butyl (6R,9S,11S)-9-[diethyl(propan-2-yl)silyl]oxy-11-hydroxy-6-methyltetradec-13-enoate
CID 10504019
tert-butyl (6R,9S,11R)-9-[diethyl(propan-2-yl)silyl]oxy-11-hydroxy-6-methyltetradec-13-enoate
CID 10527815
(4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one
CID 11515180
methyl (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoate
CID 11624653
Methyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]undec-10-enoate
CID 23583719

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one?
The IUPAC name of (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one (CID 24754867) is (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one.
What is the SMILES notation for (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one?
The canonical SMILES for (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one is C=C[C@@H]1CC(=O)O[C@@H]1C[C@](C)(CCC(O)C(C)(C)O)O[Si](C)(C)C.
What is the InChIKey of (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one?
The InChIKey is OOEHEZQXJQSWAT-CIBMZMPCSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-8-13-11-16(20)22-14(13)12-18(4,23-24(5,6)7)10-9-15(19)17(2,3)21/h8,13-15,19,21H,1,9-12H2,2-7H3/t13-,14-,15?,18+/m1/s1.
What are the key properties of (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one?
(4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one has a molecular weight of 358.55 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one is sourced from PubChem (CID 24754867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).