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

C18H34O3Si — CID 10592269

IUPAC(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
SMILESC=C(C)[C@H]1CC(=O)O[C@@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-12(2)16-11-18(19)21-17(16)9-10-20-22(13(3)4,14(5)6)15(7)8/h13-17H,1,9-11H2,2-8H3/t16-,17-/m1/s1
InChIKeyABRUCIWHDHCKIM-IAGOWNOFSA-N
MW326.55 g/mol
LogP5.08
Rot. Bonds8

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

(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one (PubChem CID 10592269) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
PubChem CID10592269
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
SMILESC=C(C)[C@H]1CC(=O)O[C@@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-12(2)16-11-18(19)21-17(16)9-10-20-22(13(3)4,14(5)6)15(7)8/h13-17H,1,9-11H2,2-8H3/t16-,17-/m1/s1
InChIKeyABRUCIWHDHCKIM-IAGOWNOFSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.08
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'}

Analyze (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
(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
(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
CID 162404388
(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10759622
5-Ethyl-3-(1-trimethylsilyloxyethenyl)oxolan-2-one
CID 121006359
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 139623985
3-[3-[Ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one
CID 157360801
5-Methylidene-4-(3-triethoxysilylpropyl)oxolan-2-one
CID 174102855
(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
methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate
CID 10566170

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one?
The IUPAC name of (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one (CID 10592269) is (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one?
The canonical SMILES for (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one is C=C(C)[C@H]1CC(=O)O[C@@H]1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one?
The InChIKey is ABRUCIWHDHCKIM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-12(2)16-11-18(19)21-17(16)9-10-20-22(13(3)4,14(5)6)15(7)8/h13-17H,1,9-11H2,2-8H3/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one?
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one has a molecular weight of 326.55 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one is sourced from PubChem (CID 10592269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).