2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane

C27H60OSi2 — CID 123582887

IUPAC2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane
SMILESCCC(C)(O[Si](C)(C)C(C)(C)C(C)(C)CC(C)(C)C)[Si](C)(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C27H60OSi2/c1-19-27(14,29(15,16)25(10,11)21-23(5,6)7)28-30(17,18)26(12,13)24(8,9)20-22(2,3)4/h19-21H2,1-18H3
InChIKeyMBPYMLWREXMGPL-UHFFFAOYSA-N
MW456.95 g/mol
LogP10.08
Rot. Bonds9

About 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane

2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane (PubChem CID 123582887) has the molecular formula C27H60OSi2 and a molecular weight of 456.95 g/mol. Its IUPAC name is 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane.

Molecular Properties

Compound Name2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane
PubChem CID123582887
Molecular FormulaC27H60OSi2
Molecular Weight456.95 g/mol
Exact Mass456.42
IUPAC Name2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane
SMILESCCC(C)(O[Si](C)(C)C(C)(C)C(C)(C)CC(C)(C)C)[Si](C)(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C27H60OSi2/c1-19-27(14,29(15,16)25(10,11)21-23(5,6)7)28-30(17,18)26(12,13)24(8,9)20-22(2,3)4/h19-21H2,1-18H3
InChIKeyMBPYMLWREXMGPL-UHFFFAOYSA-N
XLogP10.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.95
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tris-tertiarybutyldimethylsilylether
CID 129724062
Trimethyl-(2,2,4-trimethyl-1-trimethylsilylheptan-4-yl)oxysilane
CID 18716500
Trimethyl-(2,3,3,4-tetramethyl-4-trimethylsilyloxypentan-2-yl)silane
CID 20603290
Trimethyl-(2,3,3,4-tetramethyl-4-trimethylsilylhexan-2-yl)oxysilane
CID 20603291
2,2,5,5,6,6-Hexaethyloxasilinane
CID 21943864
(3-Tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methyl-bis(trimethylsilyloxy)silane
CID 57723615
Trimethyl-(3,5,5-trimethyl-6-trimethylsilylhexan-3-yl)oxysilane
CID 58309977
Ethyl-[4-[[ethyl(dimethyl)silyl]methyl]-2,4-dimethylhexan-2-yl]oxy-dimethylsilane
CID 58607507
5-Tert-butyl-2,2,6-triethyl-5,6-dimethyloxasilinane
CID 68482914
Tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane
CID 87872800
3-[Dimethyl(2,2,3-trimethylpentan-3-yl)silyl]oxypentan-3-yl-trimethylsilane
CID 89799778
[(3R,4R)-4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-dimethylhexan-3-yl]-ethyl-methyl-[(2S)-2-trimethylsilylbutan-2-yl]oxysilane
CID 89839413

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane?
The IUPAC name of 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane (CID 123582887) is 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane.
What is the SMILES notation for 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane?
The canonical SMILES for 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane is CCC(C)(O[Si](C)(C)C(C)(C)C(C)(C)CC(C)(C)C)[Si](C)(C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane?
The InChIKey is MBPYMLWREXMGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H60OSi2/c1-19-27(14,29(15,16)25(10,11)21-23(5,6)7)28-30(17,18)26(12,13)24(8,9)20-22(2,3)4/h19-21H2,1-18H3.
What are the key properties of 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane?
2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane has a molecular weight of 456.95 g/mol, XLogP of 10.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(2,3,3,5,5-pentamethylhexan-2-yl)silyl]oxybutan-2-yl-dimethyl-(2,4,4-trimethylpentan-2-yl)silane is sourced from PubChem (CID 123582887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).