[(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol

C20H38O4Si — CID 11961345

IUPAC[(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol
SMILESC/C(=C\CC[C@@]1(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)CC[C@@H]1O[C@H]1CO
InChIInChI=1S/C20H38O4Si/c1-15(10-11-16-17(13-21)23-16)9-8-12-20(5)18(24-20)14-22-25(6,7)19(2,3)4/h9,16-18,21H,8,10-14H2,1-7H3/b15-9+/t16-,17-,18-,20+/m0/s1
InChIKeyUUKBBHUINOUNLO-CBDDKAGISA-N
MW370.61 g/mol
LogP4.43
Rot. Bonds10

About [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol

[(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol (PubChem CID 11961345) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol
PubChem CID11961345
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name[(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol
SMILESC/C(=C\CC[C@@]1(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)CC[C@@H]1O[C@H]1CO
InChIInChI=1S/C20H38O4Si/c1-15(10-11-16-17(13-21)23-16)9-8-12-20(5)18(24-20)14-22-25(6,7)19(2,3)4/h9,16-18,21H,8,10-14H2,1-7H3/b15-9+/t16-,17-,18-,20+/m0/s1
InChIKeyUUKBBHUINOUNLO-CBDDKAGISA-N
XLogP4.43
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol (CID 11961345) is [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol is C/C(=C\CC[C@@]1(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)CC[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol?
The InChIKey is UUKBBHUINOUNLO-CBDDKAGISA-N. The full InChI is InChI=1S/C20H38O4Si/c1-15(10-11-16-17(13-21)23-16)9-8-12-20(5)18(24-20)14-22-25(6,7)19(2,3)4/h9,16-18,21H,8,10-14H2,1-7H3/b15-9+/t16-,17-,18-,20+/m0/s1.
What are the key properties of [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol?
[(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol has a molecular weight of 370.61 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(E)-6-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-3-methylhex-3-enyl]oxiran-2-yl]methanol is sourced from PubChem (CID 11961345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).