4-(7-trimethylsilylheptoxy)phenol

C16H28O2Si — CID 169298048

IUPAC4-(7-trimethylsilylheptoxy)phenol
SMILESC[Si](C)(C)CCCCCCCOc1ccc(O)cc1
InChIInChI=1S/C16H28O2Si/c1-19(2,3)14-8-6-4-5-7-13-18-16-11-9-15(17)10-12-16/h9-12,17H,4-8,13-14H2,1-3H3
InChIKeyVUVPBTZIUCOHMP-UHFFFAOYSA-N
MW280.48 g/mol
LogP5.06
Rot. Bonds9

About 4-(7-trimethylsilylheptoxy)phenol

4-(7-trimethylsilylheptoxy)phenol (PubChem CID 169298048) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 4-(7-trimethylsilylheptoxy)phenol.

Molecular Properties

Compound Name4-(7-trimethylsilylheptoxy)phenol
PubChem CID169298048
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name4-(7-trimethylsilylheptoxy)phenol
SMILESC[Si](C)(C)CCCCCCCOc1ccc(O)cc1
InChIInChI=1S/C16H28O2Si/c1-19(2,3)14-8-6-4-5-7-13-18-16-11-9-15(17)10-12-16/h9-12,17H,4-8,13-14H2,1-3H3
InChIKeyVUVPBTZIUCOHMP-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
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

4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-octadecoxyphenol
CID 22179059
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
3-fluoro-4-(9-trimethylsilylnonoxy)phenol
CID 169298033
chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
CID 123328360
(4-propoxyphenyl) 4-(5-trimethylsilylpentoxy)benzoate
CID 14847881
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol
CID 72958463
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
4-oct-7-ynoxyphenol
CID 166068897

Frequently Asked Questions

What is the IUPAC name of 4-(7-trimethylsilylheptoxy)phenol?
The IUPAC name of 4-(7-trimethylsilylheptoxy)phenol (CID 169298048) is 4-(7-trimethylsilylheptoxy)phenol.
What is the SMILES notation for 4-(7-trimethylsilylheptoxy)phenol?
The canonical SMILES for 4-(7-trimethylsilylheptoxy)phenol is C[Si](C)(C)CCCCCCCOc1ccc(O)cc1.
What is the InChIKey of 4-(7-trimethylsilylheptoxy)phenol?
The InChIKey is VUVPBTZIUCOHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-19(2,3)14-8-6-4-5-7-13-18-16-11-9-15(17)10-12-16/h9-12,17H,4-8,13-14H2,1-3H3.
What are the key properties of 4-(7-trimethylsilylheptoxy)phenol?
4-(7-trimethylsilylheptoxy)phenol has a molecular weight of 280.48 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-trimethylsilylheptoxy)phenol is sourced from PubChem (CID 169298048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).