[2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane

C21H39ClO6Si2 — CID 151043884

IUPAC[2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(Cc1ccc(Cl)cc1C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C21H39ClO6Si2/c1-8-23-29(24-9-2,25-10-3)21(17-19-14-15-20(22)16-18(19)7)30(26-11-4,27-12-5)28-13-6/h14-16,21H,8-13,17H2,1-7H3
InChIKeyMCQVLAKOGMUFGQ-UHFFFAOYSA-N
MW479.16 g/mol
LogP5.20
Rot. Bonds16

About [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane

[2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane (PubChem CID 151043884) has the molecular formula C21H39ClO6Si2 and a molecular weight of 479.16 g/mol. Its IUPAC name is [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane.

Molecular Properties

Compound Name[2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane
PubChem CID151043884
Molecular FormulaC21H39ClO6Si2
Molecular Weight479.16 g/mol
Exact Mass478.20
IUPAC Name[2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(Cc1ccc(Cl)cc1C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C21H39ClO6Si2/c1-8-23-29(24-9-2,25-10-3)21(17-19-14-15-20(22)16-18(19)7)30(26-11-4,27-12-5)28-13-6/h14-16,21H,8-13,17H2,1-7H3
InChIKeyMCQVLAKOGMUFGQ-UHFFFAOYSA-N
XLogP5.20
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.16
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-chloro-2-methylphenyl)butan-2-one
CID 83639669
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CID 91716374
4-chloro-1-(iodomethyl)-2-methylbenzene
CID 91883696
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
4-chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene
CID 2777433
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536865
(4-chloro-2-methylphenyl)methanediazonium
CID 22079924
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene
CID 143164368

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane?
The IUPAC name of [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane (CID 151043884) is [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane.
What is the SMILES notation for [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane?
The canonical SMILES for [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane is CCO[Si](OCC)(OCC)C(Cc1ccc(Cl)cc1C)[Si](OCC)(OCC)OCC.
What is the InChIKey of [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane?
The InChIKey is MCQVLAKOGMUFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39ClO6Si2/c1-8-23-29(24-9-2,25-10-3)21(17-19-14-15-20(22)16-18(19)7)30(26-11-4,27-12-5)28-13-6/h14-16,21H,8-13,17H2,1-7H3.
What are the key properties of [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane?
[2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane has a molecular weight of 479.16 g/mol, XLogP of 5.20, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane is sourced from PubChem (CID 151043884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).