2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane

C25H54OSi2 — CID 90895750

IUPAC2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane
SMILESCCCCCC1(C)CC[Si]1(C)OC(C)(CC)[Si](C)(C)CCCC(C)(CC)CC
InChIInChI=1S/C25H54OSi2/c1-11-15-16-19-24(6)20-22-28(24,10)26-25(7,14-4)27(8,9)21-17-18-23(5,12-2)13-3/h11-22H2,1-10H3
InChIKeyCYVXLEGVHZWUNT-UHFFFAOYSA-N
MW426.88 g/mol
LogP9.35
Rot. Bonds14

About 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane

2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane (PubChem CID 90895750) has the molecular formula C25H54OSi2 and a molecular weight of 426.88 g/mol. Its IUPAC name is 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane.

Molecular Properties

Compound Name2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane
PubChem CID90895750
Molecular FormulaC25H54OSi2
Molecular Weight426.88 g/mol
Exact Mass426.37
IUPAC Name2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane
SMILESCCCCCC1(C)CC[Si]1(C)OC(C)(CC)[Si](C)(C)CCCC(C)(CC)CC
InChIInChI=1S/C25H54OSi2/c1-11-15-16-19-24(6)20-22-28(24,10)26-25(7,14-4)27(8,9)21-17-18-23(5,12-2)13-3/h11-22H2,1-10H3
InChIKeyCYVXLEGVHZWUNT-UHFFFAOYSA-N
XLogP9.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane with MolForge

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Related Compounds

Trimethyl-(2,2,4-trimethyl-1-trimethylsilylheptan-4-yl)oxysilane
CID 18716500
3-[Dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane
CID 123146128
2,2,3,5,6,7,7-Heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
CID 123525516
2-Dimethylsilylpropan-2-yloxy-dimethyl-(3,4,4,6,6-pentamethylheptan-3-yl)silane
CID 123652125
2-Dimethylsilylbutan-2-yloxy-dimethyl-(3,4,4,6,6-pentamethylheptan-3-yl)silane
CID 123962570
3-[Dimethyl(4,4,6-trimethylheptan-3-yl)silyl]oxypentan-3-yl-trimethylsilane
CID 173673581

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane?
The IUPAC name of 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane (CID 90895750) is 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane.
What is the SMILES notation for 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane?
The canonical SMILES for 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane is CCCCCC1(C)CC[Si]1(C)OC(C)(CC)[Si](C)(C)CCCC(C)(CC)CC.
What is the InChIKey of 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane?
The InChIKey is CYVXLEGVHZWUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54OSi2/c1-11-15-16-19-24(6)20-22-28(24,10)26-25(7,14-4)27(8,9)21-17-18-23(5,12-2)13-3/h11-22H2,1-10H3.
What are the key properties of 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane?
2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane has a molecular weight of 426.88 g/mol, XLogP of 9.35, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane is sourced from PubChem (CID 90895750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).