2-(4-ethylidenecyclohexylidene)acetic acid

C10H14O2 — CID 21340981

IUPAC2-(4-ethylidenecyclohexylidene)acetic acid
SMILESCC=C1CCC(=CC(=O)O)CC1
InChIInChI=1S/C10H14O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h2,7H,3-6H2,1H3,(H,11,12)/b8-2-,9-7+
InChIKeyLZCQCHOZXRFYJF-ONDBESRKSA-N
MW166.22 g/mol
LogP2.52
Rot. Bonds1

About 2-(4-ethylidenecyclohexylidene)acetic acid

2-(4-ethylidenecyclohexylidene)acetic acid (PubChem CID 21340981) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(4-ethylidenecyclohexylidene)acetic acid.

Molecular Properties

Compound Name2-(4-ethylidenecyclohexylidene)acetic acid
PubChem CID21340981
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(4-ethylidenecyclohexylidene)acetic acid
SMILESCC=C1CCC(=CC(=O)O)CC1
InChIInChI=1S/C10H14O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h2,7H,3-6H2,1H3,(H,11,12)/b8-2-,9-7+
InChIKeyLZCQCHOZXRFYJF-ONDBESRKSA-N
XLogP2.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Geranic acid
CID 5275520
trans-2-Octenoic acid
CID 5282714
3,7-Dimethylocta-2,6-dienoic acid
CID 9989
2-Octenoic acid
CID 5282713
Neranic acid
CID 5312583
3-Cyclohexyl-2-butenoic acid
CID 71704
Farnesoic acid
CID 5275507
Oct-2-enoic acid
CID 73850
Geranylgeranic acid
CID 5275521
2-Cyclohexylideneacetic acid
CID 96206
3-Methyl-2-nonenoic acid
CID 5282667
Geranate
CID 9549327

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylidenecyclohexylidene)acetic acid?
The IUPAC name of 2-(4-ethylidenecyclohexylidene)acetic acid (CID 21340981) is 2-(4-ethylidenecyclohexylidene)acetic acid.
What is the SMILES notation for 2-(4-ethylidenecyclohexylidene)acetic acid?
The canonical SMILES for 2-(4-ethylidenecyclohexylidene)acetic acid is CC=C1CCC(=CC(=O)O)CC1.
What is the InChIKey of 2-(4-ethylidenecyclohexylidene)acetic acid?
The InChIKey is LZCQCHOZXRFYJF-ONDBESRKSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h2,7H,3-6H2,1H3,(H,11,12)/b8-2-,9-7+.
What are the key properties of 2-(4-ethylidenecyclohexylidene)acetic acid?
2-(4-ethylidenecyclohexylidene)acetic acid has a molecular weight of 166.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylidenecyclohexylidene)acetic acid is sourced from PubChem (CID 21340981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).