methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate

C16H30O4Si — CID 134901734

IUPACmethyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@@H]1CC[C@@H](C[C@H](O)[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O4Si/c1-11(15(18)19-5)13-9-8-12(20-13)10-14(17)21(6,7)16(2,3)4/h12-14,17H,1,8-10H2,2-7H3/t12-,13-,14+/m0/s1
InChIKeyZCJONTTXAZBLQM-MELADBBJSA-N
MW314.50 g/mol
LogP3.06
Rot. Bonds5

About methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate

methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate (PubChem CID 134901734) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate
PubChem CID134901734
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namemethyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@@H]1CC[C@@H](C[C@H](O)[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O4Si/c1-11(15(18)19-5)13-9-8-12(20-13)10-14(17)21(6,7)16(2,3)4/h12-14,17H,1,8-10H2,2-7H3/t12-,13-,14+/m0/s1
InChIKeyZCJONTTXAZBLQM-MELADBBJSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate with MolForge

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Related Compounds

methyl 2-[(2S,5R)-5-[(2R)-2-hydroxypentyl]oxolan-2-yl]prop-2-enoate
CID 14166255
methyl 2-[(2S,5S)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate
CID 134902043
methyl 2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate
CID 134902088
methyl 2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]prop-2-enoate
CID 134981080
methyl 2-[(2S,5R)-5-[(2R)-2-hydroxybutyl]oxolan-2-yl]prop-2-enoate
CID 134981311
methyl 2-[(2S,5R)-5-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxolan-2-yl]prop-2-enoate
CID 134981523
methyl 2-[(2S,5R)-5-(2-hydroxypropyl)oxolan-2-yl]prop-2-enoate
CID 134981738
Ethyl (z)-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138985139
Ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
CID 15254806
6-(3-Hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid
CID 57137450
Ethyl 3,8-dihydroxy-2-methylideneoctanoate
CID 57150376
Methyl 3,8-dihydroxy-2-methylideneoctanoate
CID 57250834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate?
The IUPAC name of methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate (CID 134901734) is methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate is C=C(C(=O)OC)[C@@H]1CC[C@@H](C[C@H](O)[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate?
The InChIKey is ZCJONTTXAZBLQM-MELADBBJSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-11(15(18)19-5)13-9-8-12(20-13)10-14(17)21(6,7)16(2,3)4/h12-14,17H,1,8-10H2,2-7H3/t12-,13-,14+/m0/s1.
What are the key properties of methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate?
methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate has a molecular weight of 314.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate is sourced from PubChem (CID 134901734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).