hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane

C11H25NO5Si2 — CID 102023841

IUPAChydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](C)(O)O[Si](C)(N=C=O)OC(C)(C)C
InChIInChI=1S/C11H25NO5Si2/c1-10(2,3)15-18(7,12-9-13)17-19(8,14)16-11(4,5)6/h14H,1-8H3
InChIKeyHJKNFRZFAHIOHQ-UHFFFAOYSA-N
MW307.50 g/mol
LogP2.10
Rot. Bonds5

About hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane

hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane (PubChem CID 102023841) has the molecular formula C11H25NO5Si2 and a molecular weight of 307.50 g/mol. Its IUPAC name is hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Namehydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane
PubChem CID102023841
Molecular FormulaC11H25NO5Si2
Molecular Weight307.50 g/mol
Exact Mass307.13
IUPAC Namehydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](C)(O)O[Si](C)(N=C=O)OC(C)(C)C
InChIInChI=1S/C11H25NO5Si2/c1-10(2,3)15-18(7,12-9-13)17-19(8,14)16-11(4,5)6/h14H,1-8H3
InChIKeyHJKNFRZFAHIOHQ-UHFFFAOYSA-N
XLogP2.10
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane (CID 102023841) is hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane is CC(C)(C)O[Si](C)(O)O[Si](C)(N=C=O)OC(C)(C)C.
What is the InChIKey of hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is HJKNFRZFAHIOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO5Si2/c1-10(2,3)15-18(7,12-9-13)17-19(8,14)16-11(4,5)6/h14H,1-8H3.
What are the key properties of hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane?
hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 307.50 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 102023841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).