butoxy-dimethyl-propylsilane;isocyanic acid

C10H23NO2Si — CID 172732082

IUPACbutoxy-dimethyl-propylsilane;isocyanic acid
SMILESCCCCO[Si](C)(C)CCC.N=C=O
InChIInChI=1S/C9H22OSi.CHNO/c1-5-7-8-10-11(3,4)9-6-2;2-1-3/h5-9H2,1-4H3;2H
InChIKeyHXVZPRPDEYKPHD-UHFFFAOYSA-N
MW217.38 g/mol
LogP3.32
Rot. Bonds6

About butoxy-dimethyl-propylsilane;isocyanic acid

butoxy-dimethyl-propylsilane;isocyanic acid (PubChem CID 172732082) has the molecular formula C10H23NO2Si and a molecular weight of 217.38 g/mol. Its IUPAC name is butoxy-dimethyl-propylsilane;isocyanic acid.

Molecular Properties

Compound Namebutoxy-dimethyl-propylsilane;isocyanic acid
PubChem CID172732082
Molecular FormulaC10H23NO2Si
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Namebutoxy-dimethyl-propylsilane;isocyanic acid
SMILESCCCCO[Si](C)(C)CCC.N=C=O
InChIInChI=1S/C9H22OSi.CHNO/c1-5-7-8-10-11(3,4)9-6-2;2-1-3/h5-9H2,1-4H3;2H
InChIKeyHXVZPRPDEYKPHD-UHFFFAOYSA-N
XLogP3.32
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
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

ethoxy-dimethyl-propylsilane;isocyanic acid
CID 175112717
isocyanic acid;tributoxy(pentyl)silane
CID 172778190
butoxy-dimethyl-propylsilane;butyl-hydroxy-dimethylsilane
CID 174694478
3-bromopropyl-butoxy-dimethylsilane
CID 140743893
dodecoxy-dimethyl-octylsilane
CID 618139
butyl-dimethyl-octoxysilane
CID 604386
hexadecoxy-dimethyl-octylsilane
CID 627002
6-bromohexoxy-butyl-dimethylsilane
CID 154264730
butyl-dimethyl-(3-nitropropoxy)silane
CID 150865981
isocyanic acid;trimethoxy(propyl)silane
CID 87261466
dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
CID 87144867
icosane;isocyanic acid
CID 87494642

Frequently Asked Questions

What is the IUPAC name of butoxy-dimethyl-propylsilane;isocyanic acid?
The IUPAC name of butoxy-dimethyl-propylsilane;isocyanic acid (CID 172732082) is butoxy-dimethyl-propylsilane;isocyanic acid.
What is the SMILES notation for butoxy-dimethyl-propylsilane;isocyanic acid?
The canonical SMILES for butoxy-dimethyl-propylsilane;isocyanic acid is CCCCO[Si](C)(C)CCC.N=C=O.
What is the InChIKey of butoxy-dimethyl-propylsilane;isocyanic acid?
The InChIKey is HXVZPRPDEYKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi.CHNO/c1-5-7-8-10-11(3,4)9-6-2;2-1-3/h5-9H2,1-4H3;2H.
What are the key properties of butoxy-dimethyl-propylsilane;isocyanic acid?
butoxy-dimethyl-propylsilane;isocyanic acid has a molecular weight of 217.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dimethyl-propylsilane;isocyanic acid is sourced from PubChem (CID 172732082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).