[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate

C19H34O6Si — CID 10762761

IUPAC[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate
SMILESCCCCCC(=O)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1
InChIInChI=1S/C19H34O6Si/c1-7-8-9-10-16(21)24-13-15(20)18(14-11-17(22)23-12-14)25-26(5,6)19(2,3)4/h11,15,18,20H,7-10,12-13H2,1-6H3/t15-,18-/m1/s1
InChIKeySPNVUBMKUNPPMV-CRAIPNDOSA-N
MW386.56 g/mol
LogP3.34
Rot. Bonds10

About [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate

[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate (PubChem CID 10762761) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate.

Molecular Properties

Compound Name[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate
PubChem CID10762761
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate
SMILESCCCCCC(=O)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1
InChIInChI=1S/C19H34O6Si/c1-7-8-9-10-16(21)24-13-15(20)18(14-11-17(22)23-12-14)25-26(5,6)19(2,3)4/h11,15,18,20H,7-10,12-13H2,1-6H3/t15-,18-/m1/s1
InChIKeySPNVUBMKUNPPMV-CRAIPNDOSA-N
XLogP3.34
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate with MolForge

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Launch Full Analysis

Related Compounds

Syributin 1
CID 11778006
(2S)-4-[(2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
CID 11400168
[(E,2R,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-[(2S)-5-oxooxolan-2-yl]hex-4-en-3-yl] (E)-but-2-enoate
CID 154709333
tert-butyl (3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
CID 11078465
Dvgfkccktasrie-mgpqqgthsa-
CID 21724844
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-methyloct-2-enoate
CID 89570868
ethyl (E,4R,5R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-methyloct-2-enoate
CID 89574528
ethyl (E,4S,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-methyloct-2-enoate
CID 89589415
ethyl (E,4S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-methyloct-2-enoate
CID 89589432
ethyl (4S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-methyloct-2-enoate
CID 123761131
ethyl (4R,5R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-methyloct-2-enoate
CID 173556001
ethyl (E,4R,5R,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-2-methyloct-2-enoate
CID 173678346

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate?
The IUPAC name of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate (CID 10762761) is [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate.
What is the SMILES notation for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate?
The canonical SMILES for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate is CCCCCC(=O)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1.
What is the InChIKey of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate?
The InChIKey is SPNVUBMKUNPPMV-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-7-8-9-10-16(21)24-13-15(20)18(14-11-17(22)23-12-14)25-26(5,6)19(2,3)4/h11,15,18,20H,7-10,12-13H2,1-6H3/t15-,18-/m1/s1.
What are the key properties of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate?
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate has a molecular weight of 386.56 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-(5-oxo-2H-furan-3-yl)propyl] hexanoate is sourced from PubChem (CID 10762761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).