6-cyclohexylhex-2-enoic acid

C12H20O2 — CID 557203

IUPAC6-cyclohexylhex-2-enoic acid
SMILESO=C(O)C=CCCCC1CCCCC1
InChIInChI=1S/C12H20O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h6,10-11H,1-5,7-9H2,(H,13,14)
InChIKeyHUXBATWUGGGMGC-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.38
Rot. Bonds5

About 6-cyclohexylhex-2-enoic acid

6-cyclohexylhex-2-enoic acid (PubChem CID 557203) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-cyclohexylhex-2-enoic acid.

Molecular Properties

Compound Name6-cyclohexylhex-2-enoic acid
PubChem CID557203
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-cyclohexylhex-2-enoic acid
SMILESO=C(O)C=CCCCC1CCCCC1
InChIInChI=1S/C12H20O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h6,10-11H,1-5,7-9H2,(H,13,14)
InChIKeyHUXBATWUGGGMGC-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylhex-2-enoic acid?
The IUPAC name of 6-cyclohexylhex-2-enoic acid (CID 557203) is 6-cyclohexylhex-2-enoic acid.
What is the SMILES notation for 6-cyclohexylhex-2-enoic acid?
The canonical SMILES for 6-cyclohexylhex-2-enoic acid is O=C(O)C=CCCCC1CCCCC1.
What is the InChIKey of 6-cyclohexylhex-2-enoic acid?
The InChIKey is HUXBATWUGGGMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h6,10-11H,1-5,7-9H2,(H,13,14).
What are the key properties of 6-cyclohexylhex-2-enoic acid?
6-cyclohexylhex-2-enoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylhex-2-enoic acid is sourced from PubChem (CID 557203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).