(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one

C20H36O3Si — CID 11846083

IUPAC(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one
SMILESC=CCC[C@H](CC1=C[C@H](C)OC1=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H36O3Si/c1-9-10-11-19(13-18-12-17(8)22-20(18)21)23-24(14(2)3,15(4)5)16(6)7/h9,12,14-17,19H,1,10-11,13H2,2-8H3/t17-,19+/m0/s1
InChIKeyKGOSYJYXEQCRNP-PKOBYXMFSA-N
MW352.59 g/mol
LogP5.78
Rot. Bonds10

About (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one

(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one (PubChem CID 11846083) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one
PubChem CID11846083
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one
SMILESC=CCC[C@H](CC1=C[C@H](C)OC1=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H36O3Si/c1-9-10-11-19(13-18-12-17(8)22-20(18)21)23-24(14(2)3,15(4)5)16(6)7/h9,12,14-17,19H,1,10-11,13H2,2-8H3/t17-,19+/m0/s1
InChIKeyKGOSYJYXEQCRNP-PKOBYXMFSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.78
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one (CID 11846083) is (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one is C=CCC[C@H](CC1=C[C@H](C)OC1=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one?
The InChIKey is KGOSYJYXEQCRNP-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-9-10-11-19(13-18-12-17(8)22-20(18)21)23-24(14(2)3,15(4)5)16(6)7/h9,12,14-17,19H,1,10-11,13H2,2-8H3/t17-,19+/m0/s1.
What are the key properties of (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one?
(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one has a molecular weight of 352.59 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one is sourced from PubChem (CID 11846083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).