1,2-diethyl-2-methylcyclopropane-1-carboxylic acid

C9H16O2 — CID 21319578

IUPAC1,2-diethyl-2-methylcyclopropane-1-carboxylic acid
SMILESCCC1(C)CC1(CC)C(=O)O
InChIInChI=1S/C9H16O2/c1-4-8(3)6-9(8,5-2)7(10)11/h4-6H2,1-3H3,(H,10,11)
InChIKeyCULOFBUZGQYWGY-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.29
Rot. Bonds3

About 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid

1,2-diethyl-2-methylcyclopropane-1-carboxylic acid (PubChem CID 21319578) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1,2-diethyl-2-methylcyclopropane-1-carboxylic acid
PubChem CID21319578
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1,2-diethyl-2-methylcyclopropane-1-carboxylic acid
SMILESCCC1(C)CC1(CC)C(=O)O
InChIInChI=1S/C9H16O2/c1-4-8(3)6-9(8,5-2)7(10)11/h4-6H2,1-3H3,(H,10,11)
InChIKeyCULOFBUZGQYWGY-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid (CID 21319578) is 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid is CCC1(C)CC1(CC)C(=O)O.
What is the InChIKey of 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is CULOFBUZGQYWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8(3)6-9(8,5-2)7(10)11/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid?
1,2-diethyl-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 156.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 21319578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).