[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate

C18H32O5Si — CID 134844717

IUPAC[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate
SMILESCC(=O)OC1C=CC(=O)[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C18H32O5Si/c1-12(2)24(13(3)4,14(5)6)21-11-10-17-16(20)8-9-18(23-17)22-15(7)19/h8-9,12-14,17-18H,10-11H2,1-7H3/t17-,18?/m1/s1
InChIKeyWGRQGENXEIKZHH-QNSVNVJESA-N
MW356.54 g/mol
LogP3.98
Rot. Bonds8

About [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate

[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate (PubChem CID 134844717) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate.

Molecular Properties

Compound Name[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate
PubChem CID134844717
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate
SMILESCC(=O)OC1C=CC(=O)[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C18H32O5Si/c1-12(2)24(13(3)4,14(5)6)21-11-10-17-16(20)8-9-18(23-17)22-15(7)19/h8-9,12-14,17-18H,10-11H2,1-7H3/t17-,18?/m1/s1
InChIKeyWGRQGENXEIKZHH-QNSVNVJESA-N
XLogP3.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472099
(3E,6R,9E,12R,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
CID 10544101
prop-2-enyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 10874559
(1S,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11129388
(1R,5R,7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11184809
ethyl (Z)-3-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11222531
(2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one
CID 11646124
tert-butyl [(2R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 24778249
(1R,5R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 51022160
[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate
CID 101131965

Frequently Asked Questions

What is the IUPAC name of [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate?
The IUPAC name of [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate (CID 134844717) is [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate.
What is the SMILES notation for [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate?
The canonical SMILES for [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate is CC(=O)OC1C=CC(=O)[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate?
The InChIKey is WGRQGENXEIKZHH-QNSVNVJESA-N. The full InChI is InChI=1S/C18H32O5Si/c1-12(2)24(13(3)4,14(5)6)21-11-10-17-16(20)8-9-18(23-17)22-15(7)19/h8-9,12-14,17-18H,10-11H2,1-7H3/t17-,18?/m1/s1.
What are the key properties of [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate?
[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate has a molecular weight of 356.54 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate is sourced from PubChem (CID 134844717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).