2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid

C14H24O2 — CID 3039525

IUPAC2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid
SMILESCC(C)CC1CC=C(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H24O2/c1-10(2)9-11-5-7-12(8-6-11)14(3,4)13(15)16/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKeyLGUBLUSZVIGEIQ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.87
Rot. Bonds4

About 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid

2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid (PubChem CID 3039525) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid
PubChem CID3039525
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid
SMILESCC(C)CC1CC=C(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H24O2/c1-10(2)9-11-5-7-12(8-6-11)14(3,4)13(15)16/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKeyLGUBLUSZVIGEIQ-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.87
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 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid (CID 3039525) is 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid is CC(C)CC1CC=C(C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid?
The InChIKey is LGUBLUSZVIGEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)9-11-5-7-12(8-6-11)14(3,4)13(15)16/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid?
2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid has a molecular weight of 224.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid is sourced from PubChem (CID 3039525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).