2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid

C18H30O3Si — CID 173046450

IUPAC2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid
SMILESC[SiH](C)OC(CCCC(C)(C)C)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C18H30O3Si/c1-18(2,3)12-6-7-16(21-22(4)5)15-10-8-14(9-11-15)13-17(19)20/h8-11,16,22H,6-7,12-13H2,1-5H3,(H,19,20)
InChIKeyXMMWSBVHPUALRP-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.57
Rot. Bonds8

About 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid

2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid (PubChem CID 173046450) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid
PubChem CID173046450
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid
SMILESC[SiH](C)OC(CCCC(C)(C)C)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C18H30O3Si/c1-18(2,3)12-6-7-16(21-22(4)5)15-10-8-14(9-11-15)13-17(19)20/h8-11,16,22H,6-7,12-13H2,1-5H3,(H,19,20)
InChIKeyXMMWSBVHPUALRP-UHFFFAOYSA-N
XLogP4.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.57
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-2,2-dimethylpropyl)phenyl]acetic acid
CID 91999158
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
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
1-dimethylsilyloxy-6,6-dimethylheptane-1-sulfonic acid
CID 173419817
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
2-[4-(1,2-diaminoethyl)phenyl]acetic acid
CID 55297408
2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid
CID 103261398
methyl 4-[4-(1-hydroxy-6,6-dimethylheptyl)phenyl]butanoate
CID 10734491
2-[4-(5,5-dimethylhexyl)phenoxy]acetic acid
CID 4058495
2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid
CID 142297392

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid (CID 173046450) is 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid is C[SiH](C)OC(CCCC(C)(C)C)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid?
The InChIKey is XMMWSBVHPUALRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-18(2,3)12-6-7-16(21-22(4)5)15-10-8-14(9-11-15)13-17(19)20/h8-11,16,22H,6-7,12-13H2,1-5H3,(H,19,20).
What are the key properties of 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid?
2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid has a molecular weight of 322.52 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-dimethylsilyloxy-5,5-dimethylhexyl)phenyl]acetic acid is sourced from PubChem (CID 173046450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).