tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane

C45H94O6Si2 — CID 159572917

IUPACtert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane
SMILESCC(C)(C)OCCO[Si](C)(C)C(C)(C)C.CC(C)(C)OCc1ccccc1.CC(C)[Si](OCCOC(C)(C)C)(C(C)C)C(C)C.CCCOC(C)(C)C
InChIInChI=1S/C15H34O2Si.C12H28O2Si.C11H16O.C7H16O/c1-12(2)18(13(3)4,14(5)6)17-11-10-16-15(7,8)9;1-11(2,3)13-9-10-14-15(7,8)12(4,5)6;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-6-8-7(2,3)4/h12-14H,10-11H2,1-9H3;9-10H2,1-8H3;4-8H,9H2,1-3H3;5-6H2,1-4H3
InChIKeyMIAVXXFNMWDGQV-UHFFFAOYSA-N
MW787.41 g/mol
LogP14.03
Rot. Bonds15

About tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane

tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane (PubChem CID 159572917) has the molecular formula C45H94O6Si2 and a molecular weight of 787.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane
PubChem CID159572917
Molecular FormulaC45H94O6Si2
Molecular Weight787.41 g/mol
Exact Mass786.66
IUPAC Nametert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane
SMILESCC(C)(C)OCCO[Si](C)(C)C(C)(C)C.CC(C)(C)OCc1ccccc1.CC(C)[Si](OCCOC(C)(C)C)(C(C)C)C(C)C.CCCOC(C)(C)C
InChIInChI=1S/C15H34O2Si.C12H28O2Si.C11H16O.C7H16O/c1-12(2)18(13(3)4,14(5)6)17-11-10-16-15(7,8)9;1-11(2,3)13-9-10-14-15(7,8)12(4,5)6;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-6-8-7(2,3)4/h12-14H,10-11H2,1-9H3;9-10H2,1-8H3;4-8H,9H2,1-3H3;5-6H2,1-4H3
InChIKeyMIAVXXFNMWDGQV-UHFFFAOYSA-N
XLogP14.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.41
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane?
The IUPAC name of tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane (CID 159572917) is tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane?
The canonical SMILES for tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane is CC(C)(C)OCCO[Si](C)(C)C(C)(C)C.CC(C)(C)OCc1ccccc1.CC(C)[Si](OCCOC(C)(C)C)(C(C)C)C(C)C.CCCOC(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane?
The InChIKey is MIAVXXFNMWDGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2Si.C12H28O2Si.C11H16O.C7H16O/c1-12(2)18(13(3)4,14(5)6)17-11-10-16-15(7,8)9;1-11(2,3)13-9-10-14-15(7,8)12(4,5)6;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-6-8-7(2,3)4/h12-14H,10-11H2,1-9H3;9-10H2,1-8H3;4-8H,9H2,1-3H3;5-6H2,1-4H3.
What are the key properties of tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane?
tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane has a molecular weight of 787.41 g/mol, XLogP of 14.03, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane is sourced from PubChem (CID 159572917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).