3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid

C15H24O3Si — CID 91363751

IUPAC3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid
SMILESCC(C)[Si](O)(c1cccc(CCC(=O)O)c1)C(C)C
InChIInChI=1S/C15H24O3Si/c1-11(2)19(18,12(3)4)14-7-5-6-13(10-14)8-9-15(16)17/h5-7,10-12,18H,8-9H2,1-4H3,(H,16,17)
InChIKeyMPJFEWSTDCBEHQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.67
Rot. Bonds6

About 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid

3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid (PubChem CID 91363751) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid
PubChem CID91363751
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid
SMILESCC(C)[Si](O)(c1cccc(CCC(=O)O)c1)C(C)C
InChIInChI=1S/C15H24O3Si/c1-11(2)19(18,12(3)4)14-7-5-6-13(10-14)8-9-15(16)17/h5-7,10-12,18H,8-9H2,1-4H3,(H,16,17)
InChIKeyMPJFEWSTDCBEHQ-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]propanoic acid
CID 82514139
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
3-[4-[(18F)fluoro-di(propan-2-yl)silyl]phenyl]propanoic acid
CID 24826465
3-[3-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]propanoic acid
CID 20738033
lanthanum;3-phenylpropanoic acid
CID 174887955
3-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
CID 115054892
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
3-[3-(4-methylpentylamino)phenyl]propanoic acid
CID 122044389
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893
3-[3-[(2R)-2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 68719445
3-[3-(propan-2-ylsulfamoylamino)phenyl]propanoic acid
CID 114806847
(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[fluoro-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide;(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoylamino]-3-methylbutanamide
CID 158519955

Frequently Asked Questions

What is the IUPAC name of 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid?
The IUPAC name of 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid (CID 91363751) is 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid is CC(C)[Si](O)(c1cccc(CCC(=O)O)c1)C(C)C.
What is the InChIKey of 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid?
The InChIKey is MPJFEWSTDCBEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-11(2)19(18,12(3)4)14-7-5-6-13(10-14)8-9-15(16)17/h5-7,10-12,18H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid?
3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid has a molecular weight of 280.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid is sourced from PubChem (CID 91363751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).