tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane

C18H30OSi — CID 134843819

IUPACtri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane
SMILESC=C(C)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H30OSi/c1-13(2)17-9-11-18(12-10-17)19-20(14(3)4,15(5)6)16(7)8/h9-12,14-16H,1H2,2-8H3
InChIKeyIKPHIHQDBTWGCX-UHFFFAOYSA-N
MW290.52 g/mol
LogP6.27
Rot. Bonds6

About tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane

tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane (PubChem CID 134843819) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane.

Molecular Properties

Compound Nametri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane
PubChem CID134843819
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Nametri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane
SMILESC=C(C)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H30OSi/c1-13(2)17-9-11-18(12-10-17)19-20(14(3)4,15(5)6)16(7)8/h9-12,14-16H,1H2,2-8H3
InChIKeyIKPHIHQDBTWGCX-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethylphenol
CID 31242
4-Dodecylphenol
CID 66030
Sodium p-methylphenolate
CID 23673456
4-(3-Methylbut-2-enyl)phenol
CID 14543
p-Isopropenylphenol
CID 584247
Gibbilimbol C
CID 11820250
Gibbilimbol B
CID 10014185
Gibbilimbol D
CID 10262345
Gibbilimbol A
CID 10263365
4-(2-Butenyl)phenol
CID 221736
(4-(2-Bromoethyl)phenoxy)(tert-butyl)dimethylsilane
CID 636962
Tert-butyl(4-ethynylphenoxy)dimethylsilane
CID 6613427

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane?
The IUPAC name of tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane (CID 134843819) is tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane.
What is the SMILES notation for tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane?
The canonical SMILES for tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane is C=C(C)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane?
The InChIKey is IKPHIHQDBTWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OSi/c1-13(2)17-9-11-18(12-10-17)19-20(14(3)4,15(5)6)16(7)8/h9-12,14-16H,1H2,2-8H3.
What are the key properties of tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane?
tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane has a molecular weight of 290.52 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane is sourced from PubChem (CID 134843819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).