(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one

C19H36O3Si — CID 10759622

IUPAC(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
SMILESC=C(C)[C@H]1[C@H](C)C(=O)O[C@@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-12(2)18-16(9)19(20)22-17(18)10-11-21-23(13(3)4,14(5)6)15(7)8/h13-18H,1,10-11H2,2-9H3/t16-,17+,18-/m0/s1
InChIKeyZTWZWEVNMVAPOS-KSZLIROESA-N
MW340.58 g/mol
LogP5.32
Rot. Bonds8

About (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one

(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one (PubChem CID 10759622) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
PubChem CID10759622
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
SMILESC=C(C)[C@H]1[C@H](C)C(=O)O[C@@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-12(2)18-16(9)19(20)22-17(18)10-11-21-23(13(3)4,14(5)6)15(7)8/h13-18H,1,10-11H2,2-9H3/t16-,17+,18-/m0/s1
InChIKeyZTWZWEVNMVAPOS-KSZLIROESA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one
CID 146018116
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
CID 146018117
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269
(3S,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methyloxolan-2-one
CID 10107970
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one
CID 10423285
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-propan-2-yloxolan-2-one
CID 10542120
propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
CID 11067853
(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-3-methyl-1-triethylsilyloxybut-3-enyl]oxolan-2-one
CID 11667718
(3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
CID 11808682
[(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate
CID 46855280
(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one
CID 101383774

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one?
The IUPAC name of (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one (CID 10759622) is (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one?
The canonical SMILES for (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one is C=C(C)[C@H]1[C@H](C)C(=O)O[C@@H]1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one?
The InChIKey is ZTWZWEVNMVAPOS-KSZLIROESA-N. The full InChI is InChI=1S/C19H36O3Si/c1-12(2)18-16(9)19(20)22-17(18)10-11-21-23(13(3)4,14(5)6)15(7)8/h13-18H,1,10-11H2,2-9H3/t16-,17+,18-/m0/s1.
What are the key properties of (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one?
(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one has a molecular weight of 340.58 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one is sourced from PubChem (CID 10759622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).