3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid

C18H26O2 — CID 57065472

IUPAC3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)C(c2ccc(C(C)(C)C)cc2)C1(C)C
InChIInChI=1S/C18H26O2/c1-7-18(15(19)20)14(17(18,5)6)12-8-10-13(11-9-12)16(2,3)4/h8-11,14H,7H2,1-6H3,(H,19,20)
InChIKeyFZPLNFSRBBAIHZ-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.59
Rot. Bonds3

About 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid

3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 57065472) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID57065472
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)C(c2ccc(C(C)(C)C)cc2)C1(C)C
InChIInChI=1S/C18H26O2/c1-7-18(15(19)20)14(17(18,5)6)12-8-10-13(11-9-12)16(2,3)4/h8-11,14H,7H2,1-6H3,(H,19,20)
InChIKeyFZPLNFSRBBAIHZ-UHFFFAOYSA-N
XLogP4.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid (CID 57065472) is 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid is CCC1(C(=O)O)C(c2ccc(C(C)(C)C)cc2)C1(C)C.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is FZPLNFSRBBAIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-7-18(15(19)20)14(17(18,5)6)12-8-10-13(11-9-12)16(2,3)4/h8-11,14H,7H2,1-6H3,(H,19,20).
What are the key properties of 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 57065472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).