(4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one

C16H32O3Si — CID 10335005

IUPAC(4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
SMILESCC[C@H]1OC(=O)C[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-8-15-14(9-16(17)19-15)10-18-20(11(2)3,12(4)5)13(6)7/h11-15H,8-10H2,1-7H3/t14-,15-/m1/s1
InChIKeyNVWAIZXORUWEDD-HUUCEWRRSA-N
MW300.52 g/mol
LogP4.52
Rot. Bonds7

About (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one

(4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one (PubChem CID 10335005) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
PubChem CID10335005
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
SMILESCC[C@H]1OC(=O)C[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-8-15-14(9-16(17)19-15)10-18-20(11(2)3,12(4)5)13(6)7/h11-15H,8-10H2,1-7H3/t14-,15-/m1/s1
InChIKeyNVWAIZXORUWEDD-HUUCEWRRSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Methyldiethoxysilyl)propylsuccinic anhydride
CID 23116723
(3R,5R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-one
CID 10514469
(3S,5R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-one
CID 10514470
Methyl (2R,3R,4S)-3-(tert-butyldimethylsilyloxy)-2,4-dimethylhexanoate
CID 134744518
3-{3-[Ethoxy(dimethyl)silyl]propyl}oxolane-2,5-dione
CID 23116702
3-[3-[Dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione
CID 23116712
3-[Diethoxy(methyl)silyl]-4-propyloxolane-2,5-dione
CID 57316510
3-Triisopropylsilanyloxy-cyclopentanecarboxylic acid ethyl ester
CID 86706172
3-[1-[Diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 87125463
3-[1-[Ethoxy(dimethyl)silyl]propyl]oxolane-2,5-dione
CID 88368483
Butane;3-[1-[ethoxy(dimethyl)silyl]propyl]oxolane-2,5-dione
CID 88414393
3-[2-[[Dimethyl(1-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]oxolane-2,5-dione
CID 89274552

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The IUPAC name of (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one (CID 10335005) is (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one.
What is the SMILES notation for (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The canonical SMILES for (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one is CC[C@H]1OC(=O)C[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The InChIKey is NVWAIZXORUWEDD-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-15-14(9-16(17)19-15)10-18-20(11(2)3,12(4)5)13(6)7/h11-15H,8-10H2,1-7H3/t14-,15-/m1/s1.
What are the key properties of (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
(4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one has a molecular weight of 300.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one is sourced from PubChem (CID 10335005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).