(2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one

C24H48O4Si2 — CID 53362619

IUPAC(2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one
SMILESC[C@@H](CCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-19(27-29(8,9)23(2,3)4)15-13-12-14-16-21(20-17-18-22(25)26-20)28-30(10,11)24(5,6)7/h17-21H,12-16H2,1-11H3/t19-,20-,21-/m0/s1
InChIKeyZREQUEVPCHUEJG-ACRUOGEOSA-N
MW456.82 g/mol
LogP7.22
Rot. Bonds11

About (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one

(2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one (PubChem CID 53362619) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one
PubChem CID53362619
Molecular FormulaC24H48O4Si2
Molecular Weight456.82 g/mol
Exact Mass456.31
IUPAC Name(2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one
SMILESC[C@@H](CCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-19(27-29(8,9)23(2,3)4)15-13-12-14-16-21(20-17-18-22(25)26-20)28-30(10,11)24(5,6)7/h17-21H,12-16H2,1-11H3/t19-,20-,21-/m0/s1
InChIKeyZREQUEVPCHUEJG-ACRUOGEOSA-N
XLogP7.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one with MolForge

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Related Compounds

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(2R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxyethyl]-2H-furan-5-one
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CID 101421510
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CID 134892692
(2R)-2-[(2S,5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one
CID 11799939
tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
CID 25098862
5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one (CID 53362619) is (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one is C[C@@H](CCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one?
The InChIKey is ZREQUEVPCHUEJG-ACRUOGEOSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-19(27-29(8,9)23(2,3)4)15-13-12-14-16-21(20-17-18-22(25)26-20)28-30(10,11)24(5,6)7/h17-21H,12-16H2,1-11H3/t19-,20-,21-/m0/s1.
What are the key properties of (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one?
(2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one has a molecular weight of 456.82 g/mol, XLogP of 7.22, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,7S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-2H-furan-5-one is sourced from PubChem (CID 53362619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).