2-(4-ethylcyclohexylidene)propanoic acid

C11H18O2 — CID 10965155

IUPAC2-(4-ethylcyclohexylidene)propanoic acid
SMILESCCC1CCC(=C(C)C(=O)O)CC1
InChIInChI=1S/C11H18O2/c1-3-9-4-6-10(7-5-9)8(2)11(12)13/h9H,3-7H2,1-2H3,(H,12,13)/b10-8-
InChIKeyKMKPKYPUXVYRIX-NTMALXAHSA-N
MW182.26 g/mol
LogP2.99
Rot. Bonds2

About 2-(4-ethylcyclohexylidene)propanoic acid

2-(4-ethylcyclohexylidene)propanoic acid (PubChem CID 10965155) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(4-ethylcyclohexylidene)propanoic acid.

Molecular Properties

Compound Name2-(4-ethylcyclohexylidene)propanoic acid
PubChem CID10965155
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(4-ethylcyclohexylidene)propanoic acid
SMILESCCC1CCC(=C(C)C(=O)O)CC1
InChIInChI=1S/C11H18O2/c1-3-9-4-6-10(7-5-9)8(2)11(12)13/h9H,3-7H2,1-2H3,(H,12,13)/b10-8-
InChIKeyKMKPKYPUXVYRIX-NTMALXAHSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Cyclohexyl-2-butenoic acid
CID 71704
2-Methyl-3-ethyl-2-nonenoic acid
CID 166192
2-cyclohexylidenepropanoic Acid
CID 2825114
2-(4-methylcyclohexylidene)acetic Acid
CID 4169398
3-Ethyl-2-methylnon-2-enoic acid
CID 3037057
(E,4S)-2,4-dimethyldec-2-enoic acid
CID 155515036
2-(4-Tert-butylcyclohexylidene)propanoic acid
CID 10013355
2-(4-Methylcyclohexylidene)propanoic acid
CID 10877516
(E,4S,6S,8S)-2,4,6,8-tetramethylundec-2-enoic acid
CID 21673750
(2E)-3-cyclohexylbut-2-enoic acid
CID 6537440
3-Cyclohexyl-2-methylacrylic acid
CID 14713045
2-(4-Propylcyclohexylidene)propanoic acid
CID 10241788

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexylidene)propanoic acid?
The IUPAC name of 2-(4-ethylcyclohexylidene)propanoic acid (CID 10965155) is 2-(4-ethylcyclohexylidene)propanoic acid.
What is the SMILES notation for 2-(4-ethylcyclohexylidene)propanoic acid?
The canonical SMILES for 2-(4-ethylcyclohexylidene)propanoic acid is CCC1CCC(=C(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-ethylcyclohexylidene)propanoic acid?
The InChIKey is KMKPKYPUXVYRIX-NTMALXAHSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-9-4-6-10(7-5-9)8(2)11(12)13/h9H,3-7H2,1-2H3,(H,12,13)/b10-8-.
What are the key properties of 2-(4-ethylcyclohexylidene)propanoic acid?
2-(4-ethylcyclohexylidene)propanoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexylidene)propanoic acid is sourced from PubChem (CID 10965155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).