(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol

C13H26O3Si — CID 10825136

IUPAC(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC=CCC[C@@H]1O
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-10-12-11(14)8-6-7-9-15-12/h7,9,11-12,14H,6,8,10H2,1-5H3/t11-,12-/m0/s1
InChIKeyZFLIUASBJRXCQH-RYUDHWBXSA-N
MW258.43 g/mol
LogP3.06
Rot. Bonds3

About (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol

(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol (PubChem CID 10825136) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol
PubChem CID10825136
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC=CCC[C@@H]1O
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-10-12-11(14)8-6-7-9-15-12/h7,9,11-12,14H,6,8,10H2,1-5H3/t11-,12-/m0/s1
InChIKeyZFLIUASBJRXCQH-RYUDHWBXSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.06
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

(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 53764004
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methanol
CID 11333702
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium
CID 135036750
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol
CID 135040108
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol
CID 135040151
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methanol
CID 135042815
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol
CID 154716625
(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 10657969
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-ol
CID 14054742
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-ol
CID 14056886
(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-ol
CID 14056887
4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 14523914

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol?
The IUPAC name of (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol (CID 10825136) is (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol.
What is the SMILES notation for (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol?
The canonical SMILES for (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1OC=CCC[C@@H]1O.
What is the InChIKey of (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol?
The InChIKey is ZFLIUASBJRXCQH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-10-12-11(14)8-6-7-9-15-12/h7,9,11-12,14H,6,8,10H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol?
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol has a molecular weight of 258.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol is sourced from PubChem (CID 10825136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).