2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid

C13H24O3Si — CID 141134647

IUPAC2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid
SMILESCC[Si](CC)(CC)OC1C=C(CC(=O)O)CC1
InChIInChI=1S/C13H24O3Si/c1-4-17(5-2,6-3)16-12-8-7-11(9-12)10-13(14)15/h9,12H,4-8,10H2,1-3H3,(H,14,15)
InChIKeyNICBUSMITPHTIA-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.57
Rot. Bonds7

About 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid

2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid (PubChem CID 141134647) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid
PubChem CID141134647
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid
SMILESCC[Si](CC)(CC)OC1C=C(CC(=O)O)CC1
InChIInChI=1S/C13H24O3Si/c1-4-17(5-2,6-3)16-12-8-7-11(9-12)10-13(14)15/h9,12H,4-8,10H2,1-3H3,(H,14,15)
InChIKeyNICBUSMITPHTIA-UHFFFAOYSA-N
XLogP3.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.57
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

tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate
CID 11089606
(13s,9e,11e)-13-t-Butyldimethylsilyloxy-9,11-tetradecadienoic acid
CID 129706221
(13s,9z,11e)-13-t-Butyldimethylsilyloxy-9,11-tetradecadienoic acid
CID 12988294
7-[5-[Tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid
CID 20513648
2-(5-Oxo-3-triethylsilyloxycyclopenten-1-yl)acetic acid
CID 24764270
3-(2-Hydroxypropylidene)heptanoic acid
CID 57206956
(E)-6-[tert-butyl(dimethyl)silyl]oxy-9-oxodec-7-enoic acid
CID 57908343
(R)-2-hydroxycarbonylmethyl-4-triethylsiloxy-2-cyclopenten-1-one
CID 66917185
methyl 7-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopenten-1-yl]heptanoate
CID 70437827
2-(4-Trimethylsilyloxycyclopenten-1-yl)acetic acid
CID 70459172
methyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopenten-1-yl]heptanoate
CID 70534974
ethyl 7-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopenten-1-yl]heptanoate
CID 70535142

Frequently Asked Questions

What is the IUPAC name of 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid?
The IUPAC name of 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid (CID 141134647) is 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid.
What is the SMILES notation for 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid?
The canonical SMILES for 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid is CC[Si](CC)(CC)OC1C=C(CC(=O)O)CC1.
What is the InChIKey of 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid?
The InChIKey is NICBUSMITPHTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-4-17(5-2,6-3)16-12-8-7-11(9-12)10-13(14)15/h9,12H,4-8,10H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid?
2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid has a molecular weight of 256.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-triethylsilyloxycyclopenten-1-yl)acetic acid is sourced from PubChem (CID 141134647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).