4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid

C15H22O4 — CID 67968241

IUPAC4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid
SMILESC/C=C\CC(CC)C(=O)OC1C=CC(C(=O)O)CC1
InChIInChI=1S/C15H22O4/c1-3-5-6-11(4-2)15(18)19-13-9-7-12(8-10-13)14(16)17/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3,(H,16,17)/b5-3-
InChIKeyACTJCHQEBSALCE-HYXAFXHYSA-N
MW266.34 g/mol
LogP2.94
Rot. Bonds6

About 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid

4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid (PubChem CID 67968241) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid
PubChem CID67968241
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid
SMILESC/C=C\CC(CC)C(=O)OC1C=CC(C(=O)O)CC1
InChIInChI=1S/C15H22O4/c1-3-5-6-11(4-2)15(18)19-13-9-7-12(8-10-13)14(16)17/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3,(H,16,17)/b5-3-
InChIKeyACTJCHQEBSALCE-HYXAFXHYSA-N
XLogP2.94
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid (CID 67968241) is 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid is C/C=C\CC(CC)C(=O)OC1C=CC(C(=O)O)CC1.
What is the InChIKey of 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid?
The InChIKey is ACTJCHQEBSALCE-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-6-11(4-2)15(18)19-13-9-7-12(8-10-13)14(16)17/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3,(H,16,17)/b5-3-.
What are the key properties of 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid?
4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-ethylhex-4-enoyl]oxycyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 67968241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).