2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol

C18H32O3Si — CID 46939521

IUPAC2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H32O3Si/c1-13(2)22(14(3)4,15(5)6)21-18-10-8-17(9-11-18)20-16(7)12-19/h8-11,13-16,19H,12H2,1-7H3
InChIKeyAHGFUAHRMGLYGR-UHFFFAOYSA-N
MW324.54 g/mol
LogP5.00
Rot. Bonds8

About 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol

2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol (PubChem CID 46939521) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol
PubChem CID46939521
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H32O3Si/c1-13(2)22(14(3)4,15(5)6)21-18-10-8-17(9-11-18)20-16(7)12-19/h8-11,13-16,19H,12H2,1-7H3
InChIKeyAHGFUAHRMGLYGR-UHFFFAOYSA-N
XLogP5.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
CID 21408033
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
tri(propan-2-yl)-(4-propan-2-ylphenoxy)silane
CID 170637474
[4-tri(propan-2-yl)silyloxyphenyl]boranuide;hydrofluoride
CID 159204182
tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane
CID 134843819
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]propan-1-ol
CID 114266726
(3,4-dimethylphenoxy)-tri(propan-2-yl)silane
CID 10356220
2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883

Frequently Asked Questions

What is the IUPAC name of 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol?
The IUPAC name of 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol (CID 46939521) is 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol.
What is the SMILES notation for 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol?
The canonical SMILES for 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol is CC(CO)Oc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol?
The InChIKey is AHGFUAHRMGLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-13(2)22(14(3)4,15(5)6)21-18-10-8-17(9-11-18)20-16(7)12-19/h8-11,13-16,19H,12H2,1-7H3.
What are the key properties of 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol?
2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol has a molecular weight of 324.54 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol is sourced from PubChem (CID 46939521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).