1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol

C19H34O3Si — CID 135018570

IUPAC1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol
SMILESC#C[C@]1(C)O[C@](C(C)C)(C(O)C=C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-11-15(20)19(14(3)4)13-16(18(8,12-2)22-19)21-23(9,10)17(5,6)7/h2,11,14-16,20H,1,13H2,3-10H3/t15?,16-,18+,19-/m1/s1
InChIKeyMICCRSXSVQTRAI-QXOOASIISA-N
MW338.56 g/mol
LogP4.13
Rot. Bonds5

About 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol

1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol (PubChem CID 135018570) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol
PubChem CID135018570
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol
SMILESC#C[C@]1(C)O[C@](C(C)C)(C(O)C=C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-11-15(20)19(14(3)4)13-16(18(8,12-2)22-19)21-23(9,10)17(5,6)7/h2,11,14-16,20H,1,13H2,3-10H3/t15?,16-,18+,19-/m1/s1
InChIKeyMICCRSXSVQTRAI-QXOOASIISA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol?
The IUPAC name of 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol (CID 135018570) is 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol is C#C[C@]1(C)O[C@](C(C)C)(C(O)C=C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol?
The InChIKey is MICCRSXSVQTRAI-QXOOASIISA-N. The full InChI is InChI=1S/C19H34O3Si/c1-11-15(20)19(14(3)4)13-16(18(8,12-2)22-19)21-23(9,10)17(5,6)7/h2,11,14-16,20H,1,13H2,3-10H3/t15?,16-,18+,19-/m1/s1.
What are the key properties of 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol?
1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol has a molecular weight of 338.56 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethynyl-5-methyl-2-propan-2-yloxolan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 135018570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).