3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane

C24H54O4Si2 — CID 123812229

IUPAC3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane
SMILESCC(C)(C)OC(CC[SiH2]CC[SiH2]CCC(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C24H54O4Si2/c1-21(2,3)25-19(26-22(4,5)6)13-15-29-17-18-30-16-14-20(27-23(7,8)9)28-24(10,11)12/h19-20H,13-18,29-30H2,1-12H3
InChIKeyXXFKKLPBONZOBF-UHFFFAOYSA-N
MW462.86 g/mol
LogP5.69
Rot. Bonds13

About 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane

3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane (PubChem CID 123812229) has the molecular formula C24H54O4Si2 and a molecular weight of 462.86 g/mol. Its IUPAC name is 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane.

Molecular Properties

Compound Name3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane
PubChem CID123812229
Molecular FormulaC24H54O4Si2
Molecular Weight462.86 g/mol
Exact Mass462.36
IUPAC Name3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane
SMILESCC(C)(C)OC(CC[SiH2]CC[SiH2]CCC(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C24H54O4Si2/c1-21(2,3)25-19(26-22(4,5)6)13-15-29-17-18-30-16-14-20(27-23(7,8)9)28-24(10,11)12/h19-20H,13-18,29-30H2,1-12H3
InChIKeyXXFKKLPBONZOBF-UHFFFAOYSA-N
XLogP5.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.86
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane
CID 173016868
3,3-dimethoxypropyl-[3-(3,3-dimethoxypropylsilyl)propyl]silane
CID 123145212
3,3,5-trimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]hexane
CID 174888059
3,3-dichloropropyl-[2-(3,3-dichloropropylsilyl)ethyl]silane
CID 123410454
[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite
CID 87964568
2,2-dimethoxyethyl-[2-(2,2-dimethoxyethylsilyl)ethyl]silane
CID 123339404
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
butane-1,1-diol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 174889457
3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 43127622
methyl-[1-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 175129970
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane?
The IUPAC name of 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane (CID 123812229) is 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane.
What is the SMILES notation for 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane?
The canonical SMILES for 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane is CC(C)(C)OC(CC[SiH2]CC[SiH2]CCC(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane?
The InChIKey is XXFKKLPBONZOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O4Si2/c1-21(2,3)25-19(26-22(4,5)6)13-15-29-17-18-30-16-14-20(27-23(7,8)9)28-24(10,11)12/h19-20H,13-18,29-30H2,1-12H3.
What are the key properties of 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane?
3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane has a molecular weight of 462.86 g/mol, XLogP of 5.69, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[(2-methylpropan-2-yl)oxy]propyl-[2-[3,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]ethyl]silane is sourced from PubChem (CID 123812229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).