2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid

C11H14O3 — CID 126974650

IUPAC2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccoc1C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H14O3/c1-6-4-5-14-9(6)7-8(10(12)13)11(7,2)3/h4-5,7-8H,1-3H3,(H,12,13)
InChIKeyYXURYUDBWQNWMM-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.41
Rot. Bonds2

About 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 126974650) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid
PubChem CID126974650
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccoc1C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H14O3/c1-6-4-5-14-9(6)7-8(10(12)13)11(7,2)3/h4-5,7-8H,1-3H3,(H,12,13)
InChIKeyYXURYUDBWQNWMM-UHFFFAOYSA-N
XLogP2.41
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid (CID 126974650) is 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid is Cc1ccoc1C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is YXURYUDBWQNWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-4-5-14-9(6)7-8(10(12)13)11(7,2)3/h4-5,7-8H,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylfuran-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 126974650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).