2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid

C15H24O3Si — CID 91999158

IUPAC2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid
SMILESC[SiH](C)OC(c1ccc(CC(=O)O)cc1)C(C)(C)C
InChIInChI=1S/C15H24O3Si/c1-15(2,3)14(18-19(4)5)12-8-6-11(7-9-12)10-13(16)17/h6-9,14,19H,10H2,1-5H3,(H,16,17)
InChIKeyFDHXASLWGQXPJB-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.40
Rot. Bonds5

About 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid

2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid (PubChem CID 91999158) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid
PubChem CID91999158
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid
SMILESC[SiH](C)OC(c1ccc(CC(=O)O)cc1)C(C)(C)C
InChIInChI=1S/C15H24O3Si/c1-15(2,3)14(18-19(4)5)12-8-6-11(7-9-12)10-13(16)17/h6-9,14,19H,10H2,1-5H3,(H,16,17)
InChIKeyFDHXASLWGQXPJB-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid
CID 173046450
2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
ethyl 1-[[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]methyl]pyrazole-4-carboxylate
CID 173012103
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
N-[3,5-bis(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetamide
CID 175220794
2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 104829403
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
2-[4-(1,2-diaminoethyl)phenyl]acetic acid
CID 55297408
2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid
CID 103261398
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid (CID 91999158) is 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid is C[SiH](C)OC(c1ccc(CC(=O)O)cc1)C(C)(C)C.
What is the InChIKey of 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid?
The InChIKey is FDHXASLWGQXPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-15(2,3)14(18-19(4)5)12-8-6-11(7-9-12)10-13(16)17/h6-9,14,19H,10H2,1-5H3,(H,16,17).
What are the key properties of 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid?
2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid has a molecular weight of 280.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid is sourced from PubChem (CID 91999158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).