[(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate

C26H48O5Si — CID 134942520

IUPAC[(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate
SMILESCC(=O)OC/C(C)=C/CC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H48O5Si/c1-18(2)32(19(3)4,20(5)6)29-17-24-26(10,31-24)15-13-23-25(9,30-23)14-11-12-21(7)16-28-22(8)27/h12,18-20,23-24H,11,13-17H2,1-10H3/b21-12+/t23-,24+,25-,26+/m1/s1
InChIKeyIZSDPUDMZUCCGR-AATZCBHDSA-N
MW468.75 g/mol
LogP6.56
Rot. Bonds14

About [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate

[(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate (PubChem CID 134942520) has the molecular formula C26H48O5Si and a molecular weight of 468.75 g/mol. Its IUPAC name is [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate
PubChem CID134942520
Molecular FormulaC26H48O5Si
Molecular Weight468.75 g/mol
Exact Mass468.33
IUPAC Name[(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate
SMILESCC(=O)OC/C(C)=C/CC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H48O5Si/c1-18(2)32(19(3)4,20(5)6)29-17-24-26(10,31-24)15-13-23-25(9,30-23)14-11-12-21(7)16-28-22(8)27/h12,18-20,23-24H,11,13-17H2,1-10H3/b21-12+/t23-,24+,25-,26+/m1/s1
InChIKeyIZSDPUDMZUCCGR-AATZCBHDSA-N
XLogP6.56
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.75
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate?
The IUPAC name of [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate (CID 134942520) is [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate.
What is the SMILES notation for [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate?
The canonical SMILES for [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate is CC(=O)OC/C(C)=C/CC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate?
The InChIKey is IZSDPUDMZUCCGR-AATZCBHDSA-N. The full InChI is InChI=1S/C26H48O5Si/c1-18(2)32(19(3)4,20(5)6)29-17-24-26(10,31-24)15-13-23-25(9,30-23)14-11-12-21(7)16-28-22(8)27/h12,18-20,23-24H,11,13-17H2,1-10H3/b21-12+/t23-,24+,25-,26+/m1/s1.
What are the key properties of [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate?
[(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate has a molecular weight of 468.75 g/mol, XLogP of 6.56, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate is sourced from PubChem (CID 134942520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).