2-(4-tert-butylcyclohexylidene)acetic acid

C12H20O2 — CID 10932382

IUPAC2-(4-tert-butylcyclohexylidene)acetic acid
SMILESCC(C)(C)C1CCC(=CC(=O)O)CC1
InChIInChI=1S/C12H20O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)/b9-8-
InChIKeyZFBQFTSUDMDMDU-HJWRWDBZSA-N
MW196.29 g/mol
LogP3.23
Rot. Bonds1

About 2-(4-tert-butylcyclohexylidene)acetic acid

2-(4-tert-butylcyclohexylidene)acetic acid (PubChem CID 10932382) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexylidene)acetic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexylidene)acetic acid
PubChem CID10932382
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(4-tert-butylcyclohexylidene)acetic acid
SMILESCC(C)(C)C1CCC(=CC(=O)O)CC1
InChIInChI=1S/C12H20O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)/b9-8-
InChIKeyZFBQFTSUDMDMDU-HJWRWDBZSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexylidene)acetic acid?
The IUPAC name of 2-(4-tert-butylcyclohexylidene)acetic acid (CID 10932382) is 2-(4-tert-butylcyclohexylidene)acetic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexylidene)acetic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexylidene)acetic acid is CC(C)(C)C1CCC(=CC(=O)O)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexylidene)acetic acid?
The InChIKey is ZFBQFTSUDMDMDU-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)/b9-8-.
What are the key properties of 2-(4-tert-butylcyclohexylidene)acetic acid?
2-(4-tert-butylcyclohexylidene)acetic acid has a molecular weight of 196.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexylidene)acetic acid is sourced from PubChem (CID 10932382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).