cyclopentene;3-ethoxy-2-methylprop-2-enoic acid

C16H26O3 — CID 175914570

IUPACcyclopentene;3-ethoxy-2-methylprop-2-enoic acid
SMILESC1=CCCC1.C1=CCCC1.CCOC=C(C)C(=O)O
InChIInChI=1S/C6H10O3.2C5H8/c1-3-9-4-5(2)6(7)8;2*1-2-4-5-3-1/h4H,3H2,1-2H3,(H,7,8);2*1-2H,3-5H2
InChIKeyNETSSWKMRJYRFB-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.46
Rot. Bonds3

About cyclopentene;3-ethoxy-2-methylprop-2-enoic acid

cyclopentene;3-ethoxy-2-methylprop-2-enoic acid (PubChem CID 175914570) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is cyclopentene;3-ethoxy-2-methylprop-2-enoic acid.

Molecular Properties

Compound Namecyclopentene;3-ethoxy-2-methylprop-2-enoic acid
PubChem CID175914570
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Namecyclopentene;3-ethoxy-2-methylprop-2-enoic acid
SMILESC1=CCCC1.C1=CCCC1.CCOC=C(C)C(=O)O
InChIInChI=1S/C6H10O3.2C5H8/c1-3-9-4-5(2)6(7)8;2*1-2-4-5-3-1/h4H,3H2,1-2H3,(H,7,8);2*1-2H,3-5H2
InChIKeyNETSSWKMRJYRFB-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentene;3-ethoxy-2-methylprop-2-enoic acid?
The IUPAC name of cyclopentene;3-ethoxy-2-methylprop-2-enoic acid (CID 175914570) is cyclopentene;3-ethoxy-2-methylprop-2-enoic acid.
What is the SMILES notation for cyclopentene;3-ethoxy-2-methylprop-2-enoic acid?
The canonical SMILES for cyclopentene;3-ethoxy-2-methylprop-2-enoic acid is C1=CCCC1.C1=CCCC1.CCOC=C(C)C(=O)O.
What is the InChIKey of cyclopentene;3-ethoxy-2-methylprop-2-enoic acid?
The InChIKey is NETSSWKMRJYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2C5H8/c1-3-9-4-5(2)6(7)8;2*1-2-4-5-3-1/h4H,3H2,1-2H3,(H,7,8);2*1-2H,3-5H2.
What are the key properties of cyclopentene;3-ethoxy-2-methylprop-2-enoic acid?
cyclopentene;3-ethoxy-2-methylprop-2-enoic acid has a molecular weight of 266.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene;3-ethoxy-2-methylprop-2-enoic acid is sourced from PubChem (CID 175914570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).