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

C29H52O5Si — CID 10625480

IUPAC(2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one
SMILESCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@H]3C=CC(=O)O3)O2)O1
InChIInChI=1S/C29H52O5Si/c1-7-8-9-10-11-12-13-14-15-27(34-35(5,6)29(2,3)4)26-19-18-23(32-26)22-16-17-24(31-22)25-20-21-28(30)33-25/h20-27H,7-19H2,1-6H3/t22-,23-,24-,25+,26-,27-/m0/s1
InChIKeyFZCAVSVRCPDSAM-QZQCWTALSA-N
MW508.82 g/mol
LogP7.48
Rot. Bonds14

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

(2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one (PubChem CID 10625480) has the molecular formula C29H52O5Si and a molecular weight of 508.82 g/mol. Its IUPAC name is (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one
PubChem CID10625480
Molecular FormulaC29H52O5Si
Molecular Weight508.82 g/mol
Exact Mass508.36
IUPAC Name(2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one
SMILESCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@H]3C=CC(=O)O3)O2)O1
InChIInChI=1S/C29H52O5Si/c1-7-8-9-10-11-12-13-14-15-27(34-35(5,6)29(2,3)4)26-19-18-23(32-26)22-16-17-24(31-22)25-20-21-28(30)33-25/h20-27H,7-19H2,1-6H3/t22-,23-,24-,25+,26-,27-/m0/s1
InChIKeyFZCAVSVRCPDSAM-QZQCWTALSA-N
XLogP7.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.82
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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
ethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009693
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-enoate
CID 135009694
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
methyl (E)-3-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoate
CID 135067287
ethyl (E)-3-[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 138967741
(1S,2E,6R,15S,16S)-15-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5,17-dioxabicyclo[14.1.0]heptadec-2-en-4-one
CID 21608910
[(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enyl] (2E)-hepta-2,6-dienoate
CID 58488365
(1R,3Z,7S,9E,17R)-11-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 59027069
(1R,7S,17R)-11-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 90730663

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one (CID 10625480) is (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one is CCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@H]3C=CC(=O)O3)O2)O1.
What is the InChIKey of (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one?
The InChIKey is FZCAVSVRCPDSAM-QZQCWTALSA-N. The full InChI is InChI=1S/C29H52O5Si/c1-7-8-9-10-11-12-13-14-15-27(34-35(5,6)29(2,3)4)26-19-18-23(32-26)22-16-17-24(31-22)25-20-21-28(30)33-25/h20-27H,7-19H2,1-6H3/t22-,23-,24-,25+,26-,27-/m0/s1.
What are the key properties of (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one?
(2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one has a molecular weight of 508.82 g/mol, XLogP of 7.48, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 10625480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).