[1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane

C18H36O4Si — CID 101244411

IUPAC[1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane
SMILESC=C(C)C(O[Si](C)(C)C)[C@]1(C)O[C@H]1[C@@H](COC(C)C)OC(C)C
InChIInChI=1S/C18H36O4Si/c1-12(2)16(22-23(8,9)10)18(7)17(21-18)15(20-14(5)6)11-19-13(3)4/h13-17H,1,11H2,2-10H3/t15-,16?,17+,18+/m1/s1
InChIKeyRCJBTXSLWWWTCO-VGKGQJMESA-N
MW344.57 g/mol
LogP4.16
Rot. Bonds10

About [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane

[1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane (PubChem CID 101244411) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane
PubChem CID101244411
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name[1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane
SMILESC=C(C)C(O[Si](C)(C)C)[C@]1(C)O[C@H]1[C@@H](COC(C)C)OC(C)C
InChIInChI=1S/C18H36O4Si/c1-12(2)16(22-23(8,9)10)18(7)17(21-18)15(20-14(5)6)11-19-13(3)4/h13-17H,1,11H2,2-10H3/t15-,16?,17+,18+/m1/s1
InChIKeyRCJBTXSLWWWTCO-VGKGQJMESA-N
XLogP4.16
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.16
H-Bond Donors ≤ 50
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 [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane?
The IUPAC name of [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane (CID 101244411) is [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane.
What is the SMILES notation for [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane?
The canonical SMILES for [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane is C=C(C)C(O[Si](C)(C)C)[C@]1(C)O[C@H]1[C@@H](COC(C)C)OC(C)C.
What is the InChIKey of [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane?
The InChIKey is RCJBTXSLWWWTCO-VGKGQJMESA-N. The full InChI is InChI=1S/C18H36O4Si/c1-12(2)16(22-23(8,9)10)18(7)17(21-18)15(20-14(5)6)11-19-13(3)4/h13-17H,1,11H2,2-10H3/t15-,16?,17+,18+/m1/s1.
What are the key properties of [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane?
[1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane has a molecular weight of 344.57 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3S)-3-[(1R)-1,2-di(propan-2-yloxy)ethyl]-2-methyloxiran-2-yl]-2-methylprop-2-enoxy]-trimethylsilane is sourced from PubChem (CID 101244411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).