cyclobutane;diethoxysilane;isocyanic acid

C9H21NO3Si — CID 175484685

IUPACcyclobutane;diethoxysilane;isocyanic acid
SMILESC1CCC1.CCO[SiH2]OCC.N=C=O
InChIInChI=1S/C4H12O2Si.C4H8.CHNO/c1-3-5-7-6-4-2;1-2-4-3-1;2-1-3/h3-4,7H2,1-2H3;1-4H2;2H
InChIKeyPLZQMMKUOYFTTF-UHFFFAOYSA-N
MW219.36 g/mol
LogP1.52
Rot. Bonds4

About cyclobutane;diethoxysilane;isocyanic acid

cyclobutane;diethoxysilane;isocyanic acid (PubChem CID 175484685) has the molecular formula C9H21NO3Si and a molecular weight of 219.36 g/mol. Its IUPAC name is cyclobutane;diethoxysilane;isocyanic acid.

Molecular Properties

Compound Namecyclobutane;diethoxysilane;isocyanic acid
PubChem CID175484685
Molecular FormulaC9H21NO3Si
Molecular Weight219.36 g/mol
Exact Mass219.13
IUPAC Namecyclobutane;diethoxysilane;isocyanic acid
SMILESC1CCC1.CCO[SiH2]OCC.N=C=O
InChIInChI=1S/C4H12O2Si.C4H8.CHNO/c1-3-5-7-6-4-2;1-2-4-3-1;2-1-3/h3-4,7H2,1-2H3;1-4H2;2H
InChIKeyPLZQMMKUOYFTTF-UHFFFAOYSA-N
XLogP1.52
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
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

cyclohexane;isocyanic acid;propane
CID 173088956
ethoxy(ethyl)silane;isocyanic acid
CID 172752724
tetrakis(cycloheptane);isocyanic acid
CID 175153794
cyclopropane;isocyanic acid
CID 88635967
cyclohexane;isocyanic acid;nonadecane
CID 173074334
diethoxysilane;1-methylaziridine
CID 173126406
cyclohexane;isocyanic acid;methane
CID 172752556
diethoxysilane;N,N-dimethylethanamine
CID 173126305
isocyanic acid;methane;propane
CID 174983987
ethoxy(methoxy)silane
CID 123212051
butane;ethane;isocyanic acid
CID 175178457
diethoxy(ethyl)silane;isocyanic acid
CID 172694032

Frequently Asked Questions

What is the IUPAC name of cyclobutane;diethoxysilane;isocyanic acid?
The IUPAC name of cyclobutane;diethoxysilane;isocyanic acid (CID 175484685) is cyclobutane;diethoxysilane;isocyanic acid.
What is the SMILES notation for cyclobutane;diethoxysilane;isocyanic acid?
The canonical SMILES for cyclobutane;diethoxysilane;isocyanic acid is C1CCC1.CCO[SiH2]OCC.N=C=O.
What is the InChIKey of cyclobutane;diethoxysilane;isocyanic acid?
The InChIKey is PLZQMMKUOYFTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2Si.C4H8.CHNO/c1-3-5-7-6-4-2;1-2-4-3-1;2-1-3/h3-4,7H2,1-2H3;1-4H2;2H.
What are the key properties of cyclobutane;diethoxysilane;isocyanic acid?
cyclobutane;diethoxysilane;isocyanic acid has a molecular weight of 219.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;diethoxysilane;isocyanic acid is sourced from PubChem (CID 175484685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).