5-isocyanatopentoxysilane

C6H13NO2Si — CID 123538947

IUPAC5-isocyanatopentoxysilane
SMILESO=C=NCCCCCO[SiH3]
InChIInChI=1S/C6H13NO2Si/c8-6-7-4-2-1-3-5-9-10/h1-5H2,10H3
InChIKeySUCXCDRMJWVNTD-UHFFFAOYSA-N
MW159.26 g/mol
LogP-0.21
Rot. Bonds6

About 5-isocyanatopentoxysilane

5-isocyanatopentoxysilane (PubChem CID 123538947) has the molecular formula C6H13NO2Si and a molecular weight of 159.26 g/mol. Its IUPAC name is 5-isocyanatopentoxysilane.

Molecular Properties

Compound Name5-isocyanatopentoxysilane
PubChem CID123538947
Molecular FormulaC6H13NO2Si
Molecular Weight159.26 g/mol
Exact Mass159.07
IUPAC Name5-isocyanatopentoxysilane
SMILESO=C=NCCCCCO[SiH3]
InChIInChI=1S/C6H13NO2Si/c8-6-7-4-2-1-3-5-9-10/h1-5H2,10H3
InChIKeySUCXCDRMJWVNTD-UHFFFAOYSA-N
XLogP-0.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-6-(6-isocyanatohexoxy)hexane
CID 139782672
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
1-isocyanato-8-prop-1-enoxyoctane
CID 151373241
1-isocyanato-7-propoxyheptane
CID 155127883
25-isocyanatopentacosyl dihydrogen phosphate
CID 87681841
27-isocyanatoheptacosyl dihydrogen phosphate
CID 87686114
19-isocyanatononadecyl dihydrogen phosphate
CID 87681866
34-isocyanatotetratriacontyl dihydrogen phosphate
CID 87682283
1-isocyanato-4-(trifluoromethoxy)butane
CID 91926873
5-isocyanatopentyl (E)-but-2-enoate
CID 87826834

Frequently Asked Questions

What is the IUPAC name of 5-isocyanatopentoxysilane?
The IUPAC name of 5-isocyanatopentoxysilane (CID 123538947) is 5-isocyanatopentoxysilane.
What is the SMILES notation for 5-isocyanatopentoxysilane?
The canonical SMILES for 5-isocyanatopentoxysilane is O=C=NCCCCCO[SiH3].
What is the InChIKey of 5-isocyanatopentoxysilane?
The InChIKey is SUCXCDRMJWVNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2Si/c8-6-7-4-2-1-3-5-9-10/h1-5H2,10H3.
What are the key properties of 5-isocyanatopentoxysilane?
5-isocyanatopentoxysilane has a molecular weight of 159.26 g/mol, XLogP of -0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyanatopentoxysilane is sourced from PubChem (CID 123538947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).