2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane

C45H116O12Si7 — CID 160967730

IUPAC2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane
SMILESC.C.C.C.C.C.C=CCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOCCOCC=C.CC(CO)OCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C20H42O5Si2.C19H50O7Si5.6CH4/c1-7-11-21-15-17-23-13-9-19-26(3,4)25-27(5,6)20-10-14-24-18-16-22-12-8-2;1-19(18-20)22-16-15-21-14-13-17-31(12,25-29(8,9)23-27(2,3)4)26-30(10,11)24-28(5,6)7;;;;;;/h7-8H,1-2,9-20H2,3-6H3;19-20H,13-18H2,1-12H3;6*1H4
InChIKeySXVPXAUDRCYKTK-UHFFFAOYSA-N
MW1046.01 g/mol
LogP13.45
Rot. Bonds37

About 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane

2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane (PubChem CID 160967730) has the molecular formula C45H116O12Si7 and a molecular weight of 1046.01 g/mol. Its IUPAC name is 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane.

Molecular Properties

Compound Name2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane
PubChem CID160967730
Molecular FormulaC45H116O12Si7
Molecular Weight1046.01 g/mol
Exact Mass1044.69
IUPAC Name2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane
SMILESC.C.C.C.C.C.C=CCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOCCOCC=C.CC(CO)OCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C20H42O5Si2.C19H50O7Si5.6CH4/c1-7-11-21-15-17-23-13-9-19-26(3,4)25-27(5,6)20-10-14-24-18-16-22-12-8-2;1-19(18-20)22-16-15-21-14-13-17-31(12,25-29(8,9)23-27(2,3)4)26-30(10,11)24-28(5,6)7;;;;;;/h7-8H,1-2,9-20H2,3-6H3;19-20H,13-18H2,1-12H3;6*1H4
InChIKeySXVPXAUDRCYKTK-UHFFFAOYSA-N
XLogP13.45
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.01
LogP ≤ 513.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane?
The IUPAC name of 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane (CID 160967730) is 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane.
What is the SMILES notation for 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane?
The canonical SMILES for 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane is C.C.C.C.C.C.C=CCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOCCOCC=C.CC(CO)OCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane?
The InChIKey is SXVPXAUDRCYKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O5Si2.C19H50O7Si5.6CH4/c1-7-11-21-15-17-23-13-9-19-26(3,4)25-27(5,6)20-10-14-24-18-16-22-12-8-2;1-19(18-20)22-16-15-21-14-13-17-31(12,25-29(8,9)23-27(2,3)4)26-30(10,11)24-28(5,6)7;;;;;;/h7-8H,1-2,9-20H2,3-6H3;19-20H,13-18H2,1-12H3;6*1H4.
What are the key properties of 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane?
2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane has a molecular weight of 1046.01 g/mol, XLogP of 13.45, 37 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxy]ethoxy]propan-1-ol;[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane is sourced from PubChem (CID 160967730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).