CID 87063294

C9H19ClO3Si — CID 87063294

IUPAC—
SMILESCCOC(OCC)O[Si]CCC(C)Cl
InChIInChI=1S/C9H19ClO3Si/c1-4-11-9(12-5-2)13-14-7-6-8(3)10/h8-9H,4-7H2,1-3H3
InChIKeyIYFVCMAQLCSQKD-UHFFFAOYSA-N
MW238.79 g/mol
LogP2.41
Rot. Bonds9

About CID 87063294

CID 87063294 (PubChem CID 87063294) has the molecular formula C9H19ClO3Si and a molecular weight of 238.79 g/mol.

Molecular Properties

Compound NameCID 87063294
PubChem CID87063294
Molecular FormulaC9H19ClO3Si
Molecular Weight238.79 g/mol
Exact Mass238.08
IUPAC Name—
SMILESCCOC(OCC)O[Si]CCC(C)Cl
InChIInChI=1S/C9H19ClO3Si/c1-4-11-9(12-5-2)13-14-7-6-8(3)10/h8-9H,4-7H2,1-3H3
InChIKeyIYFVCMAQLCSQKD-UHFFFAOYSA-N
XLogP2.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.79
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Chloropropyl(diethoxy)methylsilane
CID 53400849
2-Chloroethyl-tris-ethoxymethoxy silane
CID 54288725
(3-Chloro-1,1-diethoxypropyl)silane
CID 3016261
(3-Chloropropyl)diethoxyethylsilane
CID 129803683
3-Chloropropyl-tris(1-methoxyethoxy)silane
CID 18429084
1-Chloropropan-2-yl-tris(1-methoxyethoxy)silane
CID 20497622
2-Chloroethyl-ethoxy-bis(ethoxymethoxy)silane
CID 57133200
3-Chloropropyl(diethoxymethyl)silane
CID 57348094
2-Chloroethyl(diethoxymethyl)silane
CID 57349843
1-Chloropropyl-tris(1-methoxyethoxy)silane
CID 87704035
3-[(3-Chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane
CID 89136649
2-[[(2R)-3-chloro-2-methylpropoxy]methoxy]ethyl-trimethylsilane
CID 89211143

Frequently Asked Questions

What is the IUPAC name of CID 87063294?
The IUPAC name of CID 87063294 (CID 87063294) is not available.
What is the SMILES notation for CID 87063294?
The canonical SMILES for CID 87063294 is CCOC(OCC)O[Si]CCC(C)Cl.
What is the InChIKey of CID 87063294?
The InChIKey is IYFVCMAQLCSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO3Si/c1-4-11-9(12-5-2)13-14-7-6-8(3)10/h8-9H,4-7H2,1-3H3.
What are the key properties of CID 87063294?
CID 87063294 has a molecular weight of 238.79 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87063294 is sourced from PubChem (CID 87063294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).