12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine

C23H53Cl2NO4Si2 — CID 157096772

IUPAC12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.C[SiH2]C.O=C(Cl)CCCCCCCCCCCCl
InChIInChI=1S/C12H22Cl2O.C9H23NO3Si.C2H8Si/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-3-2/h1-11H2;4-10H2,1-3H3;3H2,1-2H3
InChIKeyAFHKEDTVTXISJG-UHFFFAOYSA-N
MW534.76 g/mol
LogP6.53
Rot. Bonds20

About 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine

12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine (PubChem CID 157096772) has the molecular formula C23H53Cl2NO4Si2 and a molecular weight of 534.76 g/mol. Its IUPAC name is 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Name12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine
PubChem CID157096772
Molecular FormulaC23H53Cl2NO4Si2
Molecular Weight534.76 g/mol
Exact Mass533.29
IUPAC Name12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.C[SiH2]C.O=C(Cl)CCCCCCCCCCCCl
InChIInChI=1S/C12H22Cl2O.C9H23NO3Si.C2H8Si/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-3-2/h1-11H2;4-10H2,1-3H3;3H2,1-2H3
InChIKeyAFHKEDTVTXISJG-UHFFFAOYSA-N
XLogP6.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.76
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

28-chlorooctacosyl(triethoxy)silane
CID 87685970
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
hydroxy(methyl)silane;3-triethoxysilylpropan-1-amine;bis(3-trimethylsilylpropan-1-amine)
CID 159301197
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine
CID 175228614
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
8-triethoxysilyloctanethioic S-acid
CID 87672935

Frequently Asked Questions

What is the IUPAC name of 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine?
The IUPAC name of 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine (CID 157096772) is 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine?
The canonical SMILES for 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine is CCO[Si](CCCN)(OCC)OCC.C[SiH2]C.O=C(Cl)CCCCCCCCCCCCl.
What is the InChIKey of 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine?
The InChIKey is AFHKEDTVTXISJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2O.C9H23NO3Si.C2H8Si/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-3-2/h1-11H2;4-10H2,1-3H3;3H2,1-2H3.
What are the key properties of 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine?
12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine has a molecular weight of 534.76 g/mol, XLogP of 6.53, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 157096772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).