bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane

C31H48O6Si3 — CID 158570112

IUPACbis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
SMILESC=CCc1cc(Cc2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C[SiH](C)O[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C25H28O4.C6H20O2Si3/c1-3-5-20-12-18(7-9-24(20)28-16-22-14-26-22)11-19-8-10-25(21(13-19)6-4-2)29-17-23-15-27-23;1-9(2)7-11(5,6)8-10(3)4/h3-4,7-10,12-13,22-23H,1-2,5-6,11,14-17H2;9-10H,1-6H3
InChIKeyHRYYJYKEGHPRPC-UHFFFAOYSA-N
MW600.98 g/mol
LogP5.98
Rot. Bonds16

About bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane

bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane (PubChem CID 158570112) has the molecular formula C31H48O6Si3 and a molecular weight of 600.98 g/mol. Its IUPAC name is bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane.

Molecular Properties

Compound Namebis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
PubChem CID158570112
Molecular FormulaC31H48O6Si3
Molecular Weight600.98 g/mol
Exact Mass600.28
IUPAC Namebis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
SMILESC=CCc1cc(Cc2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C[SiH](C)O[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C25H28O4.C6H20O2Si3/c1-3-5-20-12-18(7-9-24(20)28-16-22-14-26-22)11-19-8-10-25(21(13-19)6-4-2)29-17-23-15-27-23;1-9(2)7-11(5,6)8-10(3)4/h3-4,7-10,12-13,22-23H,1-2,5-6,11,14-17H2;9-10H,1-6H3
InChIKeyHRYYJYKEGHPRPC-UHFFFAOYSA-N
XLogP5.98
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.98
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane with MolForge

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Related Compounds

2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209641
2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane
CID 90233959
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209636
2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane
CID 90250128
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxetane
CID 130314268
N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide
CID 54033017
2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(2-methoxyethoxy)-3-prop-2-enylphenyl]methyl]-2-(2-methylprop-2-enyl)phenoxy]methyl]oxirane
CID 135292978
2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
CID 88608040
4-[(5-methyloxolan-2-yl)methoxy]-3-prop-2-enylaniline
CID 103132623
2-[[2-methyl-4-[[10-[[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]phenoxy]methyl]oxirane
CID 157341670
N-[2-ethyl-4-[[3-ethyl-4-[[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]methylideneamino]phenyl]methyl]phenyl]-1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]methanimine
CID 168831548
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The IUPAC name of bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane (CID 158570112) is bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane.
What is the SMILES notation for bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The canonical SMILES for bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane is C=CCc1cc(Cc2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C[SiH](C)O[Si](C)(C)O[SiH](C)C.
What is the InChIKey of bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The InChIKey is HRYYJYKEGHPRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4.C6H20O2Si3/c1-3-5-20-12-18(7-9-24(20)28-16-22-14-26-22)11-19-8-10-25(21(13-19)6-4-2)29-17-23-15-27-23;1-9(2)7-11(5,6)8-10(3)4/h3-4,7-10,12-13,22-23H,1-2,5-6,11,14-17H2;9-10H,1-6H3.
What are the key properties of bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane?
bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane has a molecular weight of 600.98 g/mol, XLogP of 5.98, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane is sourced from PubChem (CID 158570112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).