isocyanic acid;tributoxy(pentyl)silane

C18H39NO4Si — CID 172778190

IUPACisocyanic acid;tributoxy(pentyl)silane
SMILESCCCCC[Si](OCCCC)(OCCCC)OCCCC.N=C=O
InChIInChI=1S/C17H38O3Si.CHNO/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;2-1-3/h5-17H2,1-4H3;2H
InChIKeyNWVHDXTXEYKBHI-UHFFFAOYSA-N
MW361.60 g/mol
LogP5.47
Rot. Bonds16

About isocyanic acid;tributoxy(pentyl)silane

isocyanic acid;tributoxy(pentyl)silane (PubChem CID 172778190) has the molecular formula C18H39NO4Si and a molecular weight of 361.60 g/mol. Its IUPAC name is isocyanic acid;tributoxy(pentyl)silane.

Molecular Properties

Compound Nameisocyanic acid;tributoxy(pentyl)silane
PubChem CID172778190
Molecular FormulaC18H39NO4Si
Molecular Weight361.60 g/mol
Exact Mass361.26
IUPAC Nameisocyanic acid;tributoxy(pentyl)silane
SMILESCCCCC[Si](OCCCC)(OCCCC)OCCCC.N=C=O
InChIInChI=1S/C17H38O3Si.CHNO/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;2-1-3/h5-17H2,1-4H3;2H
InChIKeyNWVHDXTXEYKBHI-UHFFFAOYSA-N
XLogP5.47
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.60
LogP ≤ 55.47
H-Bond Donors ≤ 51
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

hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
butoxy-dimethyl-propylsilane;isocyanic acid
CID 172732082
tributoxy(4-chlorobutyl)silane
CID 141455005
6-tripentoxysilylhexan-1-amine
CID 152508476
tributoxy(3-iodopropyl)silane
CID 141455003
3-trihexadecoxysilylpropan-1-amine
CID 87405617
N-methyl-3-tributoxysilylpropan-1-amine
CID 87391631
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
butoxy-butyl-dimethoxysilane
CID 139714527
hexadecane;isocyanic acid
CID 159966047
icosane;isocyanic acid
CID 87494642

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;tributoxy(pentyl)silane?
The IUPAC name of isocyanic acid;tributoxy(pentyl)silane (CID 172778190) is isocyanic acid;tributoxy(pentyl)silane.
What is the SMILES notation for isocyanic acid;tributoxy(pentyl)silane?
The canonical SMILES for isocyanic acid;tributoxy(pentyl)silane is CCCCC[Si](OCCCC)(OCCCC)OCCCC.N=C=O.
What is the InChIKey of isocyanic acid;tributoxy(pentyl)silane?
The InChIKey is NWVHDXTXEYKBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si.CHNO/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;2-1-3/h5-17H2,1-4H3;2H.
What are the key properties of isocyanic acid;tributoxy(pentyl)silane?
isocyanic acid;tributoxy(pentyl)silane has a molecular weight of 361.60 g/mol, XLogP of 5.47, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;tributoxy(pentyl)silane is sourced from PubChem (CID 172778190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).