2-(4-propan-2-ylidenecyclohexylidene)acetic acid

C11H16O2 — CID 21340983

IUPAC2-(4-propan-2-ylidenecyclohexylidene)acetic acid
SMILESCC(C)=C1CCC(=CC(=O)O)CC1
InChIInChI=1S/C11H16O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyBKAMYIJPCAMQQL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.91
Rot. Bonds1

About 2-(4-propan-2-ylidenecyclohexylidene)acetic acid

2-(4-propan-2-ylidenecyclohexylidene)acetic acid (PubChem CID 21340983) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(4-propan-2-ylidenecyclohexylidene)acetic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylidenecyclohexylidene)acetic acid
PubChem CID21340983
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(4-propan-2-ylidenecyclohexylidene)acetic acid
SMILESCC(C)=C1CCC(=CC(=O)O)CC1
InChIInChI=1S/C11H16O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyBKAMYIJPCAMQQL-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.91
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
3,7-Dimethylocta-2,6-dienoic acid
CID 9989
Acyclic retinoid
CID 6437836
2-Nonenoic acid
CID 97730
Neranic acid
CID 5312583
Nonenoic acid
CID 5312586
3-Cyclohexyl-2-butenoic acid
CID 71704
Farnesoic acid
CID 5275507
cis-2-Nonenoic acid
CID 5282722
Geranylgeranic acid
CID 5275521
2-Cyclohexylideneacetic acid
CID 96206
3-Methyl-2-nonenoic acid
CID 5282667

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylidenecyclohexylidene)acetic acid?
The IUPAC name of 2-(4-propan-2-ylidenecyclohexylidene)acetic acid (CID 21340983) is 2-(4-propan-2-ylidenecyclohexylidene)acetic acid.
What is the SMILES notation for 2-(4-propan-2-ylidenecyclohexylidene)acetic acid?
The canonical SMILES for 2-(4-propan-2-ylidenecyclohexylidene)acetic acid is CC(C)=C1CCC(=CC(=O)O)CC1.
What is the InChIKey of 2-(4-propan-2-ylidenecyclohexylidene)acetic acid?
The InChIKey is BKAMYIJPCAMQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-propan-2-ylidenecyclohexylidene)acetic acid?
2-(4-propan-2-ylidenecyclohexylidene)acetic acid has a molecular weight of 180.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylidenecyclohexylidene)acetic acid is sourced from PubChem (CID 21340983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).