2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid

C10H16O2 — CID 68748322

IUPAC2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid
SMILESCC=CC1C(C(=O)O)C1(C)CC
InChIInChI=1S/C10H16O2/c1-4-6-7-8(9(11)12)10(7,3)5-2/h4,6-8H,5H2,1-3H3,(H,11,12)
InChIKeyFBGZVFKUTZNJRI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.31
Rot. Bonds3

About 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid

2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid (PubChem CID 68748322) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid
PubChem CID68748322
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid
SMILESCC=CC1C(C(=O)O)C1(C)CC
InChIInChI=1S/C10H16O2/c1-4-6-7-8(9(11)12)10(7,3)5-2/h4,6-8H,5H2,1-3H3,(H,11,12)
InChIKeyFBGZVFKUTZNJRI-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.31
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-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid (CID 68748322) is 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid is CC=CC1C(C(=O)O)C1(C)CC.
What is the InChIKey of 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid?
The InChIKey is FBGZVFKUTZNJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-7-8(9(11)12)10(7,3)5-2/h4,6-8H,5H2,1-3H3,(H,11,12).
What are the key properties of 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid?
2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 68748322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).