2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid

C28H44O5Si2 — CID 158654561

IUPAC2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid
SMILESCC(C)[SiH](c1ccc(CC(=O)O)cc1)C(C)C.CC(C)[Si](O)(c1ccc(CC(=O)O)cc1)C(C)C
InChIInChI=1S/C14H22O3Si.C14H22O2Si/c1-10(2)18(17,11(3)4)13-7-5-12(6-8-13)9-14(15)16;1-10(2)17(11(3)4)13-7-5-12(6-8-13)9-14(15)16/h5-8,10-11,17H,9H2,1-4H3,(H,15,16);5-8,10-11,17H,9H2,1-4H3,(H,15,16)
InChIKeyIBYXFAMDBHDYTR-UHFFFAOYSA-N
MW516.83 g/mol
LogP4.85
Rot. Bonds10

About 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid

2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid (PubChem CID 158654561) has the molecular formula C28H44O5Si2 and a molecular weight of 516.83 g/mol. Its IUPAC name is 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid
PubChem CID158654561
Molecular FormulaC28H44O5Si2
Molecular Weight516.83 g/mol
Exact Mass516.27
IUPAC Name2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid
SMILESCC(C)[SiH](c1ccc(CC(=O)O)cc1)C(C)C.CC(C)[Si](O)(c1ccc(CC(=O)O)cc1)C(C)C
InChIInChI=1S/C14H22O3Si.C14H22O2Si/c1-10(2)18(17,11(3)4)13-7-5-12(6-8-13)9-14(15)16;1-10(2)17(11(3)4)13-7-5-12(6-8-13)9-14(15)16/h5-8,10-11,17H,9H2,1-4H3,(H,15,16);5-8,10-11,17H,9H2,1-4H3,(H,15,16)
InChIKeyIBYXFAMDBHDYTR-UHFFFAOYSA-N
XLogP4.85
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.83
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
CID 159788892
2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid
CID 91363751
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid
CID 91999158
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-[4-(6-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetic acid
CID 64927194
CID 24826373
CID 24826373
2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
CID 69474334
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659

Frequently Asked Questions

What is the IUPAC name of 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid?
The IUPAC name of 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid (CID 158654561) is 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid is CC(C)[SiH](c1ccc(CC(=O)O)cc1)C(C)C.CC(C)[Si](O)(c1ccc(CC(=O)O)cc1)C(C)C.
What is the InChIKey of 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid?
The InChIKey is IBYXFAMDBHDYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si.C14H22O2Si/c1-10(2)18(17,11(3)4)13-7-5-12(6-8-13)9-14(15)16;1-10(2)17(11(3)4)13-7-5-12(6-8-13)9-14(15)16/h5-8,10-11,17H,9H2,1-4H3,(H,15,16);5-8,10-11,17H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid?
2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid has a molecular weight of 516.83 g/mol, XLogP of 4.85, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-di(propan-2-yl)silylphenyl]acetic acid;2-[4-[hydroxy-di(propan-2-yl)silyl]phenyl]acetic acid is sourced from PubChem (CID 158654561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).