1-chloropropane;diethoxy(methyl)silane;isocyanic acid

C9H22ClNO3Si — CID 174854154

IUPAC1-chloropropane;diethoxy(methyl)silane;isocyanic acid
SMILESCCCCl.CCO[SiH](C)OCC.N=C=O
InChIInChI=1S/C5H14O2Si.C3H7Cl.CHNO/c1-4-6-8(3)7-5-2;1-2-3-4;2-1-3/h8H,4-5H2,1-3H3;2-3H2,1H3;2H
InChIKeyNSCSPAQUMNHWOL-UHFFFAOYSA-N
MW255.82 g/mol
LogP2.45
Rot. Bonds5

About 1-chloropropane;diethoxy(methyl)silane;isocyanic acid

1-chloropropane;diethoxy(methyl)silane;isocyanic acid (PubChem CID 174854154) has the molecular formula C9H22ClNO3Si and a molecular weight of 255.82 g/mol. Its IUPAC name is 1-chloropropane;diethoxy(methyl)silane;isocyanic acid.

Molecular Properties

Compound Name1-chloropropane;diethoxy(methyl)silane;isocyanic acid
PubChem CID174854154
Molecular FormulaC9H22ClNO3Si
Molecular Weight255.82 g/mol
Exact Mass255.11
IUPAC Name1-chloropropane;diethoxy(methyl)silane;isocyanic acid
SMILESCCCCl.CCO[SiH](C)OCC.N=C=O
InChIInChI=1S/C5H14O2Si.C3H7Cl.CHNO/c1-4-6-8(3)7-5-2;1-2-3-4;2-1-3/h8H,4-5H2,1-3H3;2-3H2,1H3;2H
InChIKeyNSCSPAQUMNHWOL-UHFFFAOYSA-N
XLogP2.45
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.82
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

diethoxy(ethyl)silane;isocyanic acid
CID 172694032
diethoxy(methyl)silane;ethanethiol
CID 174413164
boric acid;isocyanic acid;triethoxysilane
CID 159384027
butane;ethane;isocyanic acid
CID 175178457
isocyanic acid;methane;propane
CID 174983987
dichloromethane;isocyanic acid;methane
CID 172756177
hexadecane;isocyanic acid
CID 159966047
icosane;isocyanic acid
CID 87494642
isocyanic acid;propan-1-ol
CID 87862786
heptane;isocyanic acid
CID 87075966
isocyanic acid;propan-1-ol
CID 172714127
isocyanic acid;propylsilane
CID 172805937

Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;diethoxy(methyl)silane;isocyanic acid?
The IUPAC name of 1-chloropropane;diethoxy(methyl)silane;isocyanic acid (CID 174854154) is 1-chloropropane;diethoxy(methyl)silane;isocyanic acid.
What is the SMILES notation for 1-chloropropane;diethoxy(methyl)silane;isocyanic acid?
The canonical SMILES for 1-chloropropane;diethoxy(methyl)silane;isocyanic acid is CCCCl.CCO[SiH](C)OCC.N=C=O.
What is the InChIKey of 1-chloropropane;diethoxy(methyl)silane;isocyanic acid?
The InChIKey is NSCSPAQUMNHWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2Si.C3H7Cl.CHNO/c1-4-6-8(3)7-5-2;1-2-3-4;2-1-3/h8H,4-5H2,1-3H3;2-3H2,1H3;2H.
What are the key properties of 1-chloropropane;diethoxy(methyl)silane;isocyanic acid?
1-chloropropane;diethoxy(methyl)silane;isocyanic acid has a molecular weight of 255.82 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;diethoxy(methyl)silane;isocyanic acid is sourced from PubChem (CID 174854154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).