(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane

C25H46O2Si — CID 91744864

IUPAC(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane
SMILESCCCCCCCCCCCCCCCO[Si](C)(C)Oc1cc(C)ccc1C
InChIInChI=1S/C25H46O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-28(4,5)27-25-22-23(2)19-20-24(25)3/h19-20,22H,6-18,21H2,1-5H3
InChIKeyWNUPHDBQUHAOTI-UHFFFAOYSA-N
MW406.73 g/mol
LogP8.49
Rot. Bonds17

About (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane

(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane (PubChem CID 91744864) has the molecular formula C25H46O2Si and a molecular weight of 406.73 g/mol. Its IUPAC name is (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane.

Molecular Properties

Compound Name(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane
PubChem CID91744864
Molecular FormulaC25H46O2Si
Molecular Weight406.73 g/mol
Exact Mass406.33
IUPAC Name(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane
SMILESCCCCCCCCCCCCCCCO[Si](C)(C)Oc1cc(C)ccc1C
InChIInChI=1S/C25H46O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-28(4,5)27-25-22-23(2)19-20-24(25)3/h19-20,22H,6-18,21H2,1-5H3
InChIKeyWNUPHDBQUHAOTI-UHFFFAOYSA-N
XLogP8.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.73
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane
CID 91744089
hexadecoxy-dimethyl-(2-methylphenoxy)silane
CID 91744863
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
1,4-dimethyl-2-pentoxybenzene
CID 59184214
(2-chlorophenoxy)-dimethyl-tetradecoxysilane
CID 91744415
4-methyl-2-tetradecoxyphenol
CID 19014152
butoxy-(2,3-dimethylphenoxy)-dimethylsilane
CID 91738660
dimethyl-octoxy-(2-phenylphenoxy)silane
CID 91734404
dodecoxy-dimethyl-(2-phenylphenoxy)silane
CID 91744976
(4-methoxyphenoxy)-dimethyl-nonoxysilane
CID 91742591
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane?
The IUPAC name of (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane (CID 91744864) is (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane.
What is the SMILES notation for (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane?
The canonical SMILES for (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane is CCCCCCCCCCCCCCCO[Si](C)(C)Oc1cc(C)ccc1C.
What is the InChIKey of (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane?
The InChIKey is WNUPHDBQUHAOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-28(4,5)27-25-22-23(2)19-20-24(25)3/h19-20,22H,6-18,21H2,1-5H3.
What are the key properties of (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane?
(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane has a molecular weight of 406.73 g/mol, XLogP of 8.49, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane is sourced from PubChem (CID 91744864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).