2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid

C14H20O5 — CID 152655478

IUPAC2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC=CC(COC(=O)C1C=CCCC1C(=O)O)OC
InChIInChI=1S/C14H20O5/c1-3-6-10(18-2)9-19-14(17)12-8-5-4-7-11(12)13(15)16/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,15,16)
InChIKeyZIKZOVUOEICFPO-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.79
Rot. Bonds6

About 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid

2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 152655478) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID152655478
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC=CC(COC(=O)C1C=CCCC1C(=O)O)OC
InChIInChI=1S/C14H20O5/c1-3-6-10(18-2)9-19-14(17)12-8-5-4-7-11(12)13(15)16/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,15,16)
InChIKeyZIKZOVUOEICFPO-UHFFFAOYSA-N
XLogP1.79
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-undecoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 150563699
bis(2-ethylhexyl) cyclohex-3-ene-1,2-dicarboxylate;cyclohex-3-ene-1,2-dicarboxylic acid
CID 158794518
ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate
CID 54124837
2-[4-hydroxy-2-(2-methylprop-2-enoxy)butoxy]carbonylcyclohex-3-ene-1-carboxylic acid
CID 151598801
cyclohex-3-ene-1,2-dicarboxylic acid;methane
CID 174553928
CID 158982455
CID 158982455
dimethyl (1R,2S)-cyclohex-3-ene-1,2-dicarboxylate
CID 134992131
cyclohex-3-ene-1,2-dicarboxylic acid;formic acid
CID 157447073
bis[3,3,3-trifluoro-2-(trifluoromethyl)propyl] cyclohex-3-ene-1,2-dicarboxylate
CID 139640338
2-(4,4-dimethylcyclohexyl)oxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 139774993
(1S,2R)-2-methoxycyclohex-3-ene-1-carboxylic acid
CID 45084870
cyclohexane-1,4-dicarboxylic acid;cyclohex-3-ene-1,2-dicarboxylic acid
CID 67203906

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid (CID 152655478) is 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid is CC=CC(COC(=O)C1C=CCCC1C(=O)O)OC.
What is the InChIKey of 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is ZIKZOVUOEICFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-3-6-10(18-2)9-19-14(17)12-8-5-4-7-11(12)13(15)16/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid?
2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypent-3-enoxycarbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 152655478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).