(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol

C17H32O4Si — CID 10830163

IUPAC(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol
SMILESC=C1CO[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H]1/C=C/OCC
InChIInChI=1S/C17H32O4Si/c1-8-19-10-9-14-13(2)11-20-16(14)15(18)12-21-22(6,7)17(3,4)5/h9-10,14-16,18H,2,8,11-12H2,1,3-7H3/b10-9+/t14-,15+,16+/m0/s1
InChIKeyNHEKSBBHBGYBSJ-GLBZDCTLSA-N
MW328.53 g/mol
LogP3.49
Rot. Bonds7

About (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol (PubChem CID 10830163) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol
PubChem CID10830163
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol
SMILESC=C1CO[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H]1/C=C/OCC
InChIInChI=1S/C17H32O4Si/c1-8-19-10-9-14-13(2)11-20-16(14)15(18)12-21-22(6,7)17(3,4)5/h9-10,14-16,18H,2,8,11-12H2,1,3-7H3/b10-9+/t14-,15+,16+/m0/s1
InChIKeyNHEKSBBHBGYBSJ-GLBZDCTLSA-N
XLogP3.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol?
The IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol (CID 10830163) is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol.
What is the SMILES notation for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol?
The canonical SMILES for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol is C=C1CO[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H]1/C=C/OCC.
What is the InChIKey of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol?
The InChIKey is NHEKSBBHBGYBSJ-GLBZDCTLSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-19-10-9-14-13(2)11-20-16(14)15(18)12-21-22(6,7)17(3,4)5/h9-10,14-16,18H,2,8,11-12H2,1,3-7H3/b10-9+/t14-,15+,16+/m0/s1.
What are the key properties of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol?
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol has a molecular weight of 328.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[(E)-2-ethoxyethenyl]-4-methylideneoxolan-2-yl]ethanol is sourced from PubChem (CID 10830163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).