[6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane

C11H20N2O3Si — CID 173111967

IUPAC[6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane
SMILESCC(O[SiH3])C(CCCN=C=O)CCCN=C=O
InChIInChI=1S/C11H20N2O3Si/c1-10(16-17)11(4-2-6-12-8-14)5-3-7-13-9-15/h10-11H,2-7H2,1,17H3
InChIKeyQTEYHTLVBKHBMW-UHFFFAOYSA-N
MW256.38 g/mol
LogP0.52
Rot. Bonds10

About [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane

[6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane (PubChem CID 173111967) has the molecular formula C11H20N2O3Si and a molecular weight of 256.38 g/mol. Its IUPAC name is [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane.

Molecular Properties

Compound Name[6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane
PubChem CID173111967
Molecular FormulaC11H20N2O3Si
Molecular Weight256.38 g/mol
Exact Mass256.12
IUPAC Name[6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane
SMILESCC(O[SiH3])C(CCCN=C=O)CCCN=C=O
InChIInChI=1S/C11H20N2O3Si/c1-10(16-17)11(4-2-6-12-8-14)5-3-7-13-9-15/h10-11H,2-7H2,1,17H3
InChIKeyQTEYHTLVBKHBMW-UHFFFAOYSA-N
XLogP0.52
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-isocyanato-4-methylpentane
CID 12705326
1-isocyanato-23-methyltetracosane
CID 140840712
1,1-difluoro-4-isocyanatobutane
CID 84762409
10-ethyl-1,20-diisocyanato-11-propylicosane
CID 57192790
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
1,2,3,6-tetraisocyanatohexane
CID 91150908
5-isocyanatopentoxysilane
CID 123538947
1,6-diisocyanato-4,6-dimethylheptane
CID 54137762
CID 16665748
CID 16665748
3-isocyanatopropylsilane
CID 123203896

Frequently Asked Questions

What is the IUPAC name of [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane?
The IUPAC name of [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane (CID 173111967) is [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane.
What is the SMILES notation for [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane?
The canonical SMILES for [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane is CC(O[SiH3])C(CCCN=C=O)CCCN=C=O.
What is the InChIKey of [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane?
The InChIKey is QTEYHTLVBKHBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3Si/c1-10(16-17)11(4-2-6-12-8-14)5-3-7-13-9-15/h10-11H,2-7H2,1,17H3.
What are the key properties of [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane?
[6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane has a molecular weight of 256.38 g/mol, XLogP of 0.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane is sourced from PubChem (CID 173111967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).