2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol

C18H34O3Si — CID 11267378

IUPAC2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol
SMILESCC[C@H]1/C=C\C=C/C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCO)O1
InChIInChI=1S/C18H34O3Si/c1-7-15-11-9-8-10-12-17(16(20-15)13-14-19)21-22(5,6)18(2,3)4/h8-11,15-17,19H,7,12-14H2,1-6H3/b10-8-,11-9-/t15-,16-,17+/m0/s1
InChIKeyJUDKUCDSJNEDCJ-PERTVNGBSA-N
MW326.55 g/mol
LogP4.44
Rot. Bonds5

About 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol

2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol (PubChem CID 11267378) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol
PubChem CID11267378
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol
SMILESCC[C@H]1/C=C\C=C/C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCO)O1
InChIInChI=1S/C18H34O3Si/c1-7-15-11-9-8-10-12-17(16(20-15)13-14-19)21-22(5,6)18(2,3)4/h8-11,15-17,19H,7,12-14H2,1-6H3/b10-8-,11-9-/t15-,16-,17+/m0/s1
InChIKeyJUDKUCDSJNEDCJ-PERTVNGBSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
tert-butyl-[[(1R,2S,5Z,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
CID 16007265
[(2R,3R,6Z,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(1Z)-2-methoxybuta-1,3-dienyl]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-2-yl]methanol
CID 49844818
tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
CID 50941199
[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
CID 11382298
(2S)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol
CID 10935948
3-[(2R,3R,5Z,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol
CID 10947449
(Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol
CID 10969134
(2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol
CID 11232282
tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane
CID 11638910
tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane
CID 11696305
(E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol
CID 11773492

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol?
The IUPAC name of 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol (CID 11267378) is 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol?
The canonical SMILES for 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol is CC[C@H]1/C=C\C=C/C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCO)O1.
What is the InChIKey of 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol?
The InChIKey is JUDKUCDSJNEDCJ-PERTVNGBSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-7-15-11-9-8-10-12-17(16(20-15)13-14-19)21-22(5,6)18(2,3)4/h8-11,15-17,19H,7,12-14H2,1-6H3/b10-8-,11-9-/t15-,16-,17+/m0/s1.
What are the key properties of 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol?
2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol has a molecular weight of 326.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol is sourced from PubChem (CID 11267378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).