2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

C18H34O3Si — CID 134916927

IUPAC2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
SMILESCC/C=C\C[C@@H]1C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1CC(=O)O
InChIInChI=1S/C18H34O3Si/c1-7-8-9-10-15-14(13-17(19)20)11-12-16(15)21-22(5,6)18(2,3)4/h8-9,14-16H,7,10-13H2,1-6H3,(H,19,20)/b9-8-/t14-,15+,16?/m1/s1
InChIKeyXJSXPPGZIFZKOJ-ZMYJBLRCSA-N
MW326.55 g/mol
LogP5.23
Rot. Bonds7

About 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid (PubChem CID 134916927) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
PubChem CID134916927
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
SMILESCC/C=C\C[C@@H]1C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1CC(=O)O
InChIInChI=1S/C18H34O3Si/c1-7-8-9-10-15-14(13-17(19)20)11-12-16(15)21-22(5,6)18(2,3)4/h8-9,14-16H,7,10-13H2,1-6H3,(H,19,20)/b9-8-/t14-,15+,16?/m1/s1
InChIKeyXJSXPPGZIFZKOJ-ZMYJBLRCSA-N
XLogP5.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.23
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

Cucurbic acid
CID 6123064
(+)-Cucurbic acid
CID 5281159
Methyl cucurbate
CID 11009664
methyl 2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14037104
Methyl-6-epi-cucurbate
CID 11107054
methyl 2-[(1R,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 11195486
(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
CID 441565
7-Iso-cucurbic acid
CID 14262447
2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 14262445
2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
CID 86310507
2-[(1S,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 92975784
methyl (1R,2R,3S)-2-[(Z)-oct-2-enyl]-5-oxo-3-triethylsilyloxycyclopentane-1-carboxylate
CID 71682707

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid (CID 134916927) is 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid is CC/C=C\C[C@@H]1C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid?
The InChIKey is XJSXPPGZIFZKOJ-ZMYJBLRCSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-7-8-9-10-15-14(13-17(19)20)11-12-16(15)21-22(5,6)18(2,3)4/h8-9,14-16H,7,10-13H2,1-6H3,(H,19,20)/b9-8-/t14-,15+,16?/m1/s1.
What are the key properties of 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid?
2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid has a molecular weight of 326.55 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid is sourced from PubChem (CID 134916927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).