2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane

C28H54O4Si2 — CID 173016813

IUPAC2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane
SMILESCC(C)(C)OCC(C[SiH2]c1ccc([SiH2]CC(COC(C)(C)C)OC(C)(C)C)cc1)OC(C)(C)C
InChIInChI=1S/C28H54O4Si2/c1-25(2,3)29-17-21(31-27(7,8)9)19-33-23-13-15-24(16-14-23)34-20-22(32-28(10,11)12)18-30-26(4,5)6/h13-16,21-22H,17-20,33-34H2,1-12H3
InChIKeyGUQYEZNTIIRHKR-UHFFFAOYSA-N
MW510.91 g/mol
LogP4.11
Rot. Bonds12

About 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane

2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane (PubChem CID 173016813) has the molecular formula C28H54O4Si2 and a molecular weight of 510.91 g/mol. Its IUPAC name is 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane.

Molecular Properties

Compound Name2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane
PubChem CID173016813
Molecular FormulaC28H54O4Si2
Molecular Weight510.91 g/mol
Exact Mass510.36
IUPAC Name2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane
SMILESCC(C)(C)OCC(C[SiH2]c1ccc([SiH2]CC(COC(C)(C)C)OC(C)(C)C)cc1)OC(C)(C)C
InChIInChI=1S/C28H54O4Si2/c1-25(2,3)29-17-21(31-27(7,8)9)19-33-23-13-15-24(16-14-23)34-20-22(32-28(10,11)12)18-30-26(4,5)6/h13-16,21-22H,17-20,33-34H2,1-12H3
InChIKeyGUQYEZNTIIRHKR-UHFFFAOYSA-N
XLogP4.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.91
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518
1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60896653
2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate
CID 167170531
1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105113091
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105145538
[(2S)-1-chloro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-trimethylsilane
CID 153482913
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite
CID 87964568
1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60901883
1,3-bis[(2-methylpropan-2-yl)oxy]-2,2-bis[(2-methylpropan-2-yl)oxymethyl]propane;2-[2,3-bis[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;2-[3-[2,3-bis[(2-methylpropan-2-yl)oxy]propoxy]-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;2-[3-[3-[2,3-bis[(2-methylpropan-2-yl)oxy]propoxy]-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;1,2,3,4,5,6-hexakis[(2-methylpropan-2-yl)oxy]hexane;1,2,3,4,5-pentakis[(2-methylpropan-2-yl)oxy]pentane;1,2,3,4-tetrakis[(2-methylpropan-2-yl)oxy]butane
CID 158588101

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane?
The IUPAC name of 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane (CID 173016813) is 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane.
What is the SMILES notation for 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane?
The canonical SMILES for 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane is CC(C)(C)OCC(C[SiH2]c1ccc([SiH2]CC(COC(C)(C)C)OC(C)(C)C)cc1)OC(C)(C)C.
What is the InChIKey of 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane?
The InChIKey is GUQYEZNTIIRHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O4Si2/c1-25(2,3)29-17-21(31-27(7,8)9)19-33-23-13-15-24(16-14-23)34-20-22(32-28(10,11)12)18-30-26(4,5)6/h13-16,21-22H,17-20,33-34H2,1-12H3.
What are the key properties of 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane?
2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane has a molecular weight of 510.91 g/mol, XLogP of 4.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2-methylpropan-2-yl)oxy]propyl-[4-[2,3-bis[(2-methylpropan-2-yl)oxy]propylsilyl]phenyl]silane is sourced from PubChem (CID 173016813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).