4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane

C19H33ClO4Si — CID 174609070

IUPAC4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.Oc1ccc(Cl)cc1
InChIInChI=1S/C13H28O3Si.C6H5ClO/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;7-5-1-3-6(8)4-2-5/h5-12H2,1-4H3;1-4,8H
InChIKeyGOCMGOIBUWTTPE-UHFFFAOYSA-N
MW389.01 g/mol
LogP5.46
Rot. Bonds7

About 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane

4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174609070) has the molecular formula C19H33ClO4Si and a molecular weight of 389.01 g/mol. Its IUPAC name is 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Name4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174609070
Molecular FormulaC19H33ClO4Si
Molecular Weight389.01 g/mol
Exact Mass388.18
IUPAC Name4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.Oc1ccc(Cl)cc1
InChIInChI=1S/C13H28O3Si.C6H5ClO/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;7-5-1-3-6(8)4-2-5/h5-12H2,1-4H3;1-4,8H
InChIKeyGOCMGOIBUWTTPE-UHFFFAOYSA-N
XLogP5.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.01
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
CID 174609072
toluene;1,1,2-triethoxy-2-ethylsilinane
CID 174816258
propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
phenanthrene;1,1,2-triethoxy-2-ethylsilinane
CID 174932363
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706
(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
1,1,2,2-tetraethoxysilinane
CID 174248265
[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
CID 174964240
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
CID 174976602
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229

Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane (CID 174609070) is 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane is CCOC1(CC)CCCC[Si]1(OCC)OCC.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is GOCMGOIBUWTTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si.C6H5ClO/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;7-5-1-3-6(8)4-2-5/h5-12H2,1-4H3;1-4,8H.
What are the key properties of 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane?
4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 389.01 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174609070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).