diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane

C25H43Cl3O2Si — CID 91745722

IUPACdiethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane
SMILESCCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C25H43Cl3O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-29-31(5-2,6-3)30-25-21-23(27)22(26)20-24(25)28/h20-21H,4-19H2,1-3H3
InChIKeyFVOPIWWPCRZQRY-UHFFFAOYSA-N
MW510.06 g/mol
LogP10.62
Rot. Bonds19

About diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane

diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane (PubChem CID 91745722) has the molecular formula C25H43Cl3O2Si and a molecular weight of 510.06 g/mol. Its IUPAC name is diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane.

Molecular Properties

Compound Namediethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane
PubChem CID91745722
Molecular FormulaC25H43Cl3O2Si
Molecular Weight510.06 g/mol
Exact Mass508.21
IUPAC Namediethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane
SMILESCCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C25H43Cl3O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-29-31(5-2,6-3)30-25-21-23(27)22(26)20-24(25)28/h20-21H,4-19H2,1-3H3
InChIKeyFVOPIWWPCRZQRY-UHFFFAOYSA-N
XLogP10.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.06
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,2,4-trichloro-5-undecoxybenzene
CID 518118
diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane
CID 91744665
(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane
CID 91740979
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentoxy-undecoxysilane
CID 91742318
(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane
CID 91744089
decoxy-diethyl-(2-phenylphenoxy)silane
CID 91736067

Frequently Asked Questions

What is the IUPAC name of diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane?
The IUPAC name of diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane (CID 91745722) is diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane.
What is the SMILES notation for diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane?
The canonical SMILES for diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane is CCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane?
The InChIKey is FVOPIWWPCRZQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43Cl3O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-29-31(5-2,6-3)30-25-21-23(27)22(26)20-24(25)28/h20-21H,4-19H2,1-3H3.
What are the key properties of diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane?
diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane has a molecular weight of 510.06 g/mol, XLogP of 10.62, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane is sourced from PubChem (CID 91745722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).