4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid

C13H20O2 — CID 15745074

IUPAC4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC(C)=CCCC1=CCC(C(=O)O)CC1
InChIInChI=1S/C13H20O2/c1-10(2)4-3-5-11-6-8-12(9-7-11)13(14)15/h4,6,12H,3,5,7-9H2,1-2H3,(H,14,15)
InChIKeyRUAHWVXDDZKWNU-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.54
Rot. Bonds4

About 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid

4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 15745074) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID15745074
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC(C)=CCCC1=CCC(C(=O)O)CC1
InChIInChI=1S/C13H20O2/c1-10(2)4-3-5-11-6-8-12(9-7-11)13(14)15/h4,6,12H,3,5,7-9H2,1-2H3,(H,14,15)
InChIKeyRUAHWVXDDZKWNU-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid (CID 15745074) is 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid is CC(C)=CCCC1=CCC(C(=O)O)CC1.
What is the InChIKey of 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is RUAHWVXDDZKWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)4-3-5-11-6-8-12(9-7-11)13(14)15/h4,6,12H,3,5,7-9H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid?
4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 208.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 15745074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).