2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid

C9H16O2 — CID 62388831

IUPAC2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid
SMILESCCC(C)C1(C)CC1C(=O)O
InChIInChI=1S/C9H16O2/c1-4-6(2)9(3)5-7(9)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyRORLXITYXWBMTA-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.14
Rot. Bonds3

About 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid

2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid (PubChem CID 62388831) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid
PubChem CID62388831
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid
SMILESCCC(C)C1(C)CC1C(=O)O
InChIInChI=1S/C9H16O2/c1-4-6(2)9(3)5-7(9)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyRORLXITYXWBMTA-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid (CID 62388831) is 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid is CCC(C)C1(C)CC1C(=O)O.
What is the InChIKey of 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is RORLXITYXWBMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6(2)9(3)5-7(9)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid?
2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 156.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 62388831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).