2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

C11H30O7Si5 — CID 154479283

IUPAC2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESC[SiH]1O[SiH2]O[Si](C)(C)O[SiH](C)O[Si](C)(CCCOCC2CO2)O1
InChIInChI=1S/C11H30O7Si5/c1-20-14-19-15-22(3,4)16-21(2)18-23(5,17-20)8-6-7-12-9-11-10-13-11/h11,20-21H,6-10,19H2,1-5H3
InChIKeyKAPFBFPEFMZJAY-UHFFFAOYSA-N
MW414.78 g/mol
LogP0.36
Rot. Bonds6

About 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (PubChem CID 154479283) has the molecular formula C11H30O7Si5 and a molecular weight of 414.78 g/mol. Its IUPAC name is 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

Molecular Properties

Compound Name2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
PubChem CID154479283
Molecular FormulaC11H30O7Si5
Molecular Weight414.78 g/mol
Exact Mass414.08
IUPAC Name2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESC[SiH]1O[SiH2]O[Si](C)(C)O[SiH](C)O[Si](C)(CCCOCC2CO2)O1
InChIInChI=1S/C11H30O7Si5/c1-20-14-19-15-22(3,4)16-21(2)18-23(5,17-20)8-6-7-12-9-11-10-13-11/h11,20-21H,6-10,19H2,1-5H3
InChIKeyKAPFBFPEFMZJAY-UHFFFAOYSA-N
XLogP0.36
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.78
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 140764013
2-methylprop-2-enyl-[3-[2,4,6,8-tetramethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silane
CID 123722448
trimethoxy-[2-[2,4,6-trimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6-trioxatrisilecan-6-yl]ethyl]silane
CID 162697457
2,2,4,6,8-pentamethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,2,4,6,8-trioxatetrasilocane
CID 58646997
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 59593966
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
CID 166063430
CID 166063430

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The IUPAC name of 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (CID 154479283) is 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.
What is the SMILES notation for 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The canonical SMILES for 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is C[SiH]1O[SiH2]O[Si](C)(C)O[SiH](C)O[Si](C)(CCCOCC2CO2)O1.
What is the InChIKey of 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The InChIKey is KAPFBFPEFMZJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H30O7Si5/c1-20-14-19-15-22(3,4)16-21(2)18-23(5,17-20)8-6-7-12-9-11-10-13-11/h11,20-21H,6-10,19H2,1-5H3.
What are the key properties of 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane has a molecular weight of 414.78 g/mol, XLogP of 0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,8-pentamethyl-6-[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is sourced from PubChem (CID 154479283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).