(2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one

C25H46O4Si — CID 10599168

IUPAC(2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one
SMILESCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)C1CC[C@@H]([C@@H]2C=CC(=O)O2)O1
InChIInChI=1S/C25H46O4Si/c1-7-8-9-10-11-12-13-14-15-23(29-30(5,6)25(2,3)4)22-17-16-20(27-22)21-18-19-24(26)28-21/h18-23H,7-17H2,1-6H3/t20-,21-,22?,23-/m0/s1
InChIKeyWFMZFXXFNOYSJX-WUTAMTCCSA-N
MW438.73 g/mol
LogP6.94
Rot. Bonds13

About (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one

(2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one (PubChem CID 10599168) has the molecular formula C25H46O4Si and a molecular weight of 438.73 g/mol. Its IUPAC name is (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one
PubChem CID10599168
Molecular FormulaC25H46O4Si
Molecular Weight438.73 g/mol
Exact Mass438.32
IUPAC Name(2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one
SMILESCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)C1CC[C@@H]([C@@H]2C=CC(=O)O2)O1
InChIInChI=1S/C25H46O4Si/c1-7-8-9-10-11-12-13-14-15-23(29-30(5,6)25(2,3)4)22-17-16-20(27-22)21-18-19-24(26)28-21/h18-23H,7-17H2,1-6H3/t20-,21-,22?,23-/m0/s1
InChIKeyWFMZFXXFNOYSJX-WUTAMTCCSA-N
XLogP6.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 56.94
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'}

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Related Compounds

methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
CID 138985052
methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
CID 138985052
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
methyl (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-enoate
CID 101383531
methyl (E)-4-[(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]-3-methylbut-2-enoate
CID 102146553
Methyl (2e,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}hexadec-2-enoate
CID 129759001
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009693
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009694
2-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]-2H-furan-5-one
CID 135016298
ethyl (E)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135021497
ethyl (Z)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135024773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one (CID 10599168) is (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one is CCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)C1CC[C@@H]([C@@H]2C=CC(=O)O2)O1.
What is the InChIKey of (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one?
The InChIKey is WFMZFXXFNOYSJX-WUTAMTCCSA-N. The full InChI is InChI=1S/C25H46O4Si/c1-7-8-9-10-11-12-13-14-15-23(29-30(5,6)25(2,3)4)22-17-16-20(27-22)21-18-19-24(26)28-21/h18-23H,7-17H2,1-6H3/t20-,21-,22?,23-/m0/s1.
What are the key properties of (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one?
(2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one has a molecular weight of 438.73 g/mol, XLogP of 6.94, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 10599168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).