tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane

C17H32O3Si — CID 11312996

IUPACtert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=CC[C@H]([C@@H]2CO2)O1
InChIInChI=1S/C17H32O3Si/c1-7-13(20-21(5,6)17(2,3)4)14-10-8-9-11-15(19-14)16-12-18-16/h8-9,13-16H,7,10-12H2,1-6H3/t13-,14+,15-,16+/m1/s1
InChIKeyWCNYRBMTCZMOMB-QXSJWSMHSA-N
MW312.53 g/mol
LogP4.29
Rot. Bonds5

About tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane

tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane (PubChem CID 11312996) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane
PubChem CID11312996
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=CC[C@H]([C@@H]2CO2)O1
InChIInChI=1S/C17H32O3Si/c1-7-13(20-21(5,6)17(2,3)4)14-10-8-9-11-15(19-14)16-12-18-16/h8-9,13-16H,7,10-12H2,1-6H3/t13-,14+,15-,16+/m1/s1
InChIKeyWCNYRBMTCZMOMB-QXSJWSMHSA-N
XLogP4.29
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane (CID 11312996) is tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=CC[C@H]([C@@H]2CO2)O1.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane?
The InChIKey is WCNYRBMTCZMOMB-QXSJWSMHSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-13(20-21(5,6)17(2,3)4)14-10-8-9-11-15(19-14)16-12-18-16/h8-9,13-16H,7,10-12H2,1-6H3/t13-,14+,15-,16+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane?
tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane has a molecular weight of 312.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-1-[(2S,7R)-7-[(2S)-oxiran-2-yl]-2,3,6,7-tetrahydrooxepin-2-yl]propoxy]silane is sourced from PubChem (CID 11312996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).