2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid

C19H36O3Si — CID 11089112

IUPAC2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid
SMILESCC1=C[C@@H](CC(C)(C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1CC(=O)O
InChIInChI=1S/C19H36O3Si/c1-14-9-15(10-16(14)11-17(20)21)12-19(5,6)13-22-23(7,8)18(2,3)4/h9,15-16H,10-13H2,1-8H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyBBCGGRHUKJFIQC-HZPDHXFCSA-N
MW340.58 g/mol
LogP5.48
Rot. Bonds7

About 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid

2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid (PubChem CID 11089112) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid
PubChem CID11089112
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid
SMILESCC1=C[C@@H](CC(C)(C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1CC(=O)O
InChIInChI=1S/C19H36O3Si/c1-14-9-15(10-16(14)11-17(20)21)12-19(5,6)13-22-23(7,8)18(2,3)4/h9,15-16H,10-13H2,1-8H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyBBCGGRHUKJFIQC-HZPDHXFCSA-N
XLogP5.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-oxocyclopent-2-en-1-yl]hepta-3,4-dienoic acid
CID 18637019
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 70390069
2-[(1S,4S)-4-(3-hydroxy-2,2-dimethylpropyl)-2-methylcyclopent-2-en-1-yl]acetic acid
CID 146167851
tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate
CID 184448
3-Cyclohexene-1-carboxylic acid, 4-methyl-1-(1-methyl-2-methylenecyclopentyl)-, (1,1-dimethylethyl)dimethylsilyl ester, (R*,S*)-
CID 184449
(E,2R,3R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methyl-2-(2-methylpropyl)hept-4-enoic acid
CID 9907425
2-[(1R,5S)-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
CID 18636543
2-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-hydroxy-1-methylcyclopent-2-en-1-yl]acetic acid
CID 18636582
2-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
CID 18636584
2-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
CID 18636594
2-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
CID 18636602
2-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methyloctyl]-5-hydroxycyclopent-2-en-1-yl]acetic acid
CID 18636606

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid (CID 11089112) is 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid is CC1=C[C@@H](CC(C)(C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid?
The InChIKey is BBCGGRHUKJFIQC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-14-9-15(10-16(14)11-17(20)21)12-19(5,6)13-22-23(7,8)18(2,3)4/h9,15-16H,10-13H2,1-8H3,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid?
2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid has a molecular weight of 340.58 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 11089112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).