6-isocyanatohexyl(dimethoxy)silane

C9H19NO3Si — CID 150956133

IUPAC6-isocyanatohexyl(dimethoxy)silane
SMILESCO[SiH](CCCCCCN=C=O)OC
InChIInChI=1S/C9H19NO3Si/c1-12-14(13-2)8-6-4-3-5-7-10-9-11/h14H,3-8H2,1-2H3
InChIKeyLLCVMJDZKIXCLL-UHFFFAOYSA-N
MW217.34 g/mol
LogP1.40
Rot. Bonds9

About 6-isocyanatohexyl(dimethoxy)silane

6-isocyanatohexyl(dimethoxy)silane (PubChem CID 150956133) has the molecular formula C9H19NO3Si and a molecular weight of 217.34 g/mol. Its IUPAC name is 6-isocyanatohexyl(dimethoxy)silane.

Molecular Properties

Compound Name6-isocyanatohexyl(dimethoxy)silane
PubChem CID150956133
Molecular FormulaC9H19NO3Si
Molecular Weight217.34 g/mol
Exact Mass217.11
IUPAC Name6-isocyanatohexyl(dimethoxy)silane
SMILESCO[SiH](CCCCCCN=C=O)OC
InChIInChI=1S/C9H19NO3Si/c1-12-14(13-2)8-6-4-3-5-7-10-9-11/h14H,3-8H2,1-2H3
InChIKeyLLCVMJDZKIXCLL-UHFFFAOYSA-N
XLogP1.40
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
dichloro(29-isocyanatononacosyl)silane
CID 173135923
dichloro(37-isocyanatoheptatriacontyl)silane
CID 173136579
dichloro(15-isocyanatopentadecyl)silane
CID 173135794
dichloro(13-isocyanatotridecyl)silane
CID 173136330
17-isocyanatoheptadecyl(trimethoxy)silane
CID 87683791
16-isocyanatohexadecyl(trimethoxy)silane
CID 87683661
3-isocyanatopropyl-methoxy-(methoxymethyl)silane
CID 154063322
1-fluoro-6-isocyanatohexane
CID 83854345
1-isocyanatodotriacontane
CID 87857577

Frequently Asked Questions

What is the IUPAC name of 6-isocyanatohexyl(dimethoxy)silane?
The IUPAC name of 6-isocyanatohexyl(dimethoxy)silane (CID 150956133) is 6-isocyanatohexyl(dimethoxy)silane.
What is the SMILES notation for 6-isocyanatohexyl(dimethoxy)silane?
The canonical SMILES for 6-isocyanatohexyl(dimethoxy)silane is CO[SiH](CCCCCCN=C=O)OC.
What is the InChIKey of 6-isocyanatohexyl(dimethoxy)silane?
The InChIKey is LLCVMJDZKIXCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3Si/c1-12-14(13-2)8-6-4-3-5-7-10-9-11/h14H,3-8H2,1-2H3.
What are the key properties of 6-isocyanatohexyl(dimethoxy)silane?
6-isocyanatohexyl(dimethoxy)silane has a molecular weight of 217.34 g/mol, XLogP of 1.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyanatohexyl(dimethoxy)silane is sourced from PubChem (CID 150956133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).