(6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one

C23H48O4Si2 — CID 134975017

IUPAC(6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one
SMILESCCCC[C@]1([C@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)CCCC(=O)O1
InChIInChI=1S/C23H48O4Si2/c1-8-15-18-23(19-16-17-22(24)26-23)21(27-29(12-5,13-6)14-7)20-25-28(9-2,10-3)11-4/h21H,8-20H2,1-7H3/t21-,23+/m0/s1
InChIKeyXWIRDDGQPSNYRR-JTHBVZDNSA-N
MW444.81 g/mol
LogP7.05
Rot. Bonds15

About (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one

(6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one (PubChem CID 134975017) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one.

Molecular Properties

Compound Name(6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one
PubChem CID134975017
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Name(6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one
SMILESCCCC[C@]1([C@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)CCCC(=O)O1
InChIInChI=1S/C23H48O4Si2/c1-8-15-18-23(19-16-17-22(24)26-23)21(27-29(12-5,13-6)14-7)20-25-28(9-2,10-3)11-4/h21H,8-20H2,1-7H3/t21-,23+/m0/s1
InChIKeyXWIRDDGQPSNYRR-JTHBVZDNSA-N
XLogP7.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one with MolForge

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Related Compounds

ethyl 3-[(2R)-2-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-2-butyl-3,4-dihydropyran-6-yl]propanoate
CID 134975077
6,6-dibutyloxan-2-one
CID 10822452
(6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one
CID 102487593
ethyl 6-oxo-2-undecyloxane-2-carboxylate
CID 11484210
triethyl-[(2R)-1-triethylsilyloxybutan-2-yl]oxysilane
CID 11370589
2,2-diethyl-1,3-dioxocane-4,8-dione
CID 70532987
5,6-dibutyl-5-ethyloxan-2-one
CID 24975032
6-butyl-1-methyl-2-oxabicyclo[4.1.0]heptan-3-one
CID 15455654
(2-decyl-7-oxooxepan-2-yl) acetate
CID 70471794
(6R)-6-butyl-6-[(4S)-2-phenyl-1,3-dioxolan-4-yl]oxan-2-one
CID 134974934
2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione
CID 139642366
(4S,5R,9S)-4,9-bis(triethylsilyloxy)-1-oxaspiro[4.4]nonan-2-one
CID 71362585

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one?
The IUPAC name of (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one (CID 134975017) is (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one.
What is the SMILES notation for (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one?
The canonical SMILES for (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one is CCCC[C@]1([C@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)CCCC(=O)O1.
What is the InChIKey of (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one?
The InChIKey is XWIRDDGQPSNYRR-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-8-15-18-23(19-16-17-22(24)26-23)21(27-29(12-5,13-6)14-7)20-25-28(9-2,10-3)11-4/h21H,8-20H2,1-7H3/t21-,23+/m0/s1.
What are the key properties of (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one?
(6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one has a molecular weight of 444.81 g/mol, XLogP of 7.05, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one is sourced from PubChem (CID 134975017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).