methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate

C16H28O4Si — CID 135029959

IUPACmethyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate
SMILESC=CC[C@]1(C(=O)OC)C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H28O4Si/c1-8-10-16(14(17)18-5)11-9-13(20-16)12-19-21(6,7)15(2,3)4/h8-9,11,13H,1,10,12H2,2-7H3/t13-,16+/m0/s1
InChIKeyMHKVCZLIEXYERE-XJKSGUPXSA-N
MW312.48 g/mol
LogP3.45
Rot. Bonds6

About methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate

methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate (PubChem CID 135029959) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate
PubChem CID135029959
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namemethyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate
SMILESC=CC[C@]1(C(=O)OC)C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H28O4Si/c1-8-10-16(14(17)18-5)11-9-13(20-16)12-19-21(6,7)15(2,3)4/h8-9,11,13H,1,10,12H2,2-7H3/t13-,16+/m0/s1
InChIKeyMHKVCZLIEXYERE-XJKSGUPXSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S,3R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 44463142
ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 102523565
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 102523566
methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-undec-2-enyl-2H-furan-5-carboxylate
CID 135029962
methyl (1S,6R)-1-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-diene-1-carboxylate
CID 146170195
Methyl 2-(((1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-yl)oxy)acetate
CID 53465922
ethyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 176359236
methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-[(E)-hept-1-enyl]oxirane-2-carboxylate
CID 11256754
[(1R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2,2-dimethylpropanoyloxy)cyclopent-2-en-1-yl] 2,2-dimethylpropanoate
CID 12967613
ethyl (2S,3R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 44463144
[(4E)-6-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxynona-4,8-dien-2-yl] acetate
CID 60172125
ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 72543847

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate?
The IUPAC name of methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate (CID 135029959) is methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate.
What is the SMILES notation for methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate?
The canonical SMILES for methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate is C=CC[C@]1(C(=O)OC)C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate?
The InChIKey is MHKVCZLIEXYERE-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-8-10-16(14(17)18-5)11-9-13(20-16)12-19-21(6,7)15(2,3)4/h8-9,11,13H,1,10,12H2,2-7H3/t13-,16+/m0/s1.
What are the key properties of methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate?
methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate has a molecular weight of 312.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate is sourced from PubChem (CID 135029959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).