2-(2-ethoxycyclohex-2-en-1-yl)acetic acid

C10H16O3 — CID 68701674

IUPAC2-(2-ethoxycyclohex-2-en-1-yl)acetic acid
SMILESCCOC1=CCCCC1CC(=O)O
InChIInChI=1S/C10H16O3/c1-2-13-9-6-4-3-5-8(9)7-10(11)12/h6,8H,2-5,7H2,1H3,(H,11,12)
InChIKeyJEEDMUBSOYKVOO-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.18
Rot. Bonds4

About 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid

2-(2-ethoxycyclohex-2-en-1-yl)acetic acid (PubChem CID 68701674) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxycyclohex-2-en-1-yl)acetic acid
PubChem CID68701674
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(2-ethoxycyclohex-2-en-1-yl)acetic acid
SMILESCCOC1=CCCCC1CC(=O)O
InChIInChI=1S/C10H16O3/c1-2-13-9-6-4-3-5-8(9)7-10(11)12/h6,8H,2-5,7H2,1H3,(H,11,12)
InChIKeyJEEDMUBSOYKVOO-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid?
The IUPAC name of 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid (CID 68701674) is 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid is CCOC1=CCCCC1CC(=O)O.
What is the InChIKey of 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid?
The InChIKey is JEEDMUBSOYKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-13-9-6-4-3-5-8(9)7-10(11)12/h6,8H,2-5,7H2,1H3,(H,11,12).
What are the key properties of 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid?
2-(2-ethoxycyclohex-2-en-1-yl)acetic acid has a molecular weight of 184.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycyclohex-2-en-1-yl)acetic acid is sourced from PubChem (CID 68701674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).