(4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one

C16H30O4Si — CID 11515180

IUPAC(4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one
SMILESC=C[C@H](C)[C@H](O)C[C@@H]1OC(=O)C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C16H30O4Si/c1-6-12(5)13(17)10-14-15(11-16(18)19-14)20-21(7-2,8-3)9-4/h6,12-15,17H,1,7-11H2,2-5H3/t12-,13+,14-,15-/m0/s1
InChIKeyAKGNWXNKZSGUSJ-XGUBFFRZSA-N
MW314.50 g/mol
LogP3.27
Rot. Bonds9

About (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one

(4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one (PubChem CID 11515180) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one
PubChem CID11515180
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one
SMILESC=C[C@H](C)[C@H](O)C[C@@H]1OC(=O)C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C16H30O4Si/c1-6-12(5)13(17)10-14-15(11-16(18)19-14)20-21(7-2,8-3)9-4/h6,12-15,17H,1,7-11H2,2-5H3/t12-,13+,14-,15-/m0/s1
InChIKeyAKGNWXNKZSGUSJ-XGUBFFRZSA-N
XLogP3.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.27
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

2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylstannylbut-3-enyl]-3-methyloxolan-2-yl]acetic acid
CID 72374675
(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
tert-butyl (3S,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-(methoxymethoxy)-3-methyl-5-prop-2-enylundecanoate
CID 134878855
8-acetyl-12-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-5-enoic acid
CID 57204684
(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-hydroxy-3-(1-hydroxyhept-6-enyl)-5-methyloxolan-2-one
CID 156755179
(3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxyoct-7-enyl)-5-methyloxolan-2-one
CID 156755181
(3S,4S,5S)-4-hydroxy-3-(1-hydroxyhex-5-enyl)-5-methyloxolan-2-one
CID 156755188
(3S,4S,5S)-4-hydroxy-3-(1-hydroxyoct-7-enyl)-5-methyloxolan-2-one
CID 156755190
2-[(2S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-methylideneoxan-2-yl]propanoic acid
CID 174052934

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one?
The IUPAC name of (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one (CID 11515180) is (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one?
The canonical SMILES for (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one is C=C[C@H](C)[C@H](O)C[C@@H]1OC(=O)C[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one?
The InChIKey is AKGNWXNKZSGUSJ-XGUBFFRZSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-6-12(5)13(17)10-14-15(11-16(18)19-14)20-21(7-2,8-3)9-4/h6,12-15,17H,1,7-11H2,2-5H3/t12-,13+,14-,15-/m0/s1.
What are the key properties of (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one?
(4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one has a molecular weight of 314.50 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(2R,3S)-2-hydroxy-3-methylpent-4-enyl]-4-triethylsilyloxyoxolan-2-one is sourced from PubChem (CID 11515180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).