(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane

C26H48O4Si — CID 91745109

IUPAC(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1c(OC)cccc1OC
InChIInChI=1S/C26H48O4Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-23-29-31(7-2,8-3)30-26-24(27-4)21-20-22-25(26)28-5/h20-22H,6-19,23H2,1-5H3
InChIKeyMQTHLCXTMPKPBN-UHFFFAOYSA-N
MW452.75 g/mol
LogP8.28
Rot. Bonds20

About (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane

(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane (PubChem CID 91745109) has the molecular formula C26H48O4Si and a molecular weight of 452.75 g/mol. Its IUPAC name is (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane.

Molecular Properties

Compound Name(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane
PubChem CID91745109
Molecular FormulaC26H48O4Si
Molecular Weight452.75 g/mol
Exact Mass452.33
IUPAC Name(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1c(OC)cccc1OC
InChIInChI=1S/C26H48O4Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-23-29-31(7-2,8-3)30-26-24(27-4)21-20-22-25(26)28-5/h20-22H,6-19,23H2,1-5H3
InChIKeyMQTHLCXTMPKPBN-UHFFFAOYSA-N
XLogP8.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.75
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxyphenoxy)-dimethyl-pentoxysilane
CID 91740000
dodecoxy-diethyl-(4-methoxyphenoxy)silane
CID 91744611
decoxy-diethyl-(2-phenylphenoxy)silane
CID 91736067
diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane
CID 91744665
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-pentoxy-undecoxysilane
CID 91742318

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane?
The IUPAC name of (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane (CID 91745109) is (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane.
What is the SMILES notation for (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane?
The canonical SMILES for (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane is CCCCCCCCCCCCCCO[Si](CC)(CC)Oc1c(OC)cccc1OC.
What is the InChIKey of (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane?
The InChIKey is MQTHLCXTMPKPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O4Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-23-29-31(7-2,8-3)30-26-24(27-4)21-20-22-25(26)28-5/h20-22H,6-19,23H2,1-5H3.
What are the key properties of (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane?
(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane has a molecular weight of 452.75 g/mol, XLogP of 8.28, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane is sourced from PubChem (CID 91745109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).