[bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane

C52H112O2Si3 — CID 123807674

IUPAC[bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](CC(C)C)(CC(C)C)O[SiH2]O[Si](CCCCCCCCCCCCCCCCCC)(CC(C)C)CC(C)C
InChIInChI=1S/C52H112O2Si3/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-56(45-49(3)4,46-50(5)6)53-55-54-57(47-51(7)8,48-52(9)10)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h49-52H,11-48,55H2,1-10H3
InChIKeyRCLHPYATSGWTBV-UHFFFAOYSA-N
MW853.72 g/mol
LogP19.06
Rot. Bonds46

About [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane

[bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane (PubChem CID 123807674) has the molecular formula C52H112O2Si3 and a molecular weight of 853.72 g/mol. Its IUPAC name is [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane.

Molecular Properties

Compound Name[bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane
PubChem CID123807674
Molecular FormulaC52H112O2Si3
Molecular Weight853.72 g/mol
Exact Mass852.80
IUPAC Name[bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](CC(C)C)(CC(C)C)O[SiH2]O[Si](CCCCCCCCCCCCCCCCCC)(CC(C)C)CC(C)C
InChIInChI=1S/C52H112O2Si3/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-56(45-49(3)4,46-50(5)6)53-55-54-57(47-51(7)8,48-52(9)10)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h49-52H,11-48,55H2,1-10H3
InChIKeyRCLHPYATSGWTBV-UHFFFAOYSA-N
XLogP19.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds46
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.72
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(2-methylpropyl)-octoxysilane
CID 612111
triheptyl(propan-2-yloxy)silane
CID 178181529
dichloro-(2-methylpropyl)-octadecylsilane
CID 141127282
decyl-tris(2-methylpropoxy)silane
CID 163237532
diethyl-hexyl-methoxysilane
CID 59112330
trihexadecyl(propoxy)silane
CID 172579393
2-methylheptane;trichloro(decyl)silane;hydrofluoride
CID 174930865
[dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane
CID 141006663
chloro-tri(nonyl)silane
CID 140826961
trichloro(octyl)silane
CID 21354
decane;ruthenium
CID 160818595
diethoxy-icosyl-undecylsilane
CID 139614143

Frequently Asked Questions

What is the IUPAC name of [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane?
The IUPAC name of [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane (CID 123807674) is [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane.
What is the SMILES notation for [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane?
The canonical SMILES for [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane is CCCCCCCCCCCCCCCCCC[Si](CC(C)C)(CC(C)C)O[SiH2]O[Si](CCCCCCCCCCCCCCCCCC)(CC(C)C)CC(C)C.
What is the InChIKey of [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane?
The InChIKey is RCLHPYATSGWTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H112O2Si3/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-56(45-49(3)4,46-50(5)6)53-55-54-57(47-51(7)8,48-52(9)10)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h49-52H,11-48,55H2,1-10H3.
What are the key properties of [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane?
[bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane has a molecular weight of 853.72 g/mol, XLogP of 19.06, 46 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane is sourced from PubChem (CID 123807674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).