3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid

C9H14O3 — CID 57224930

IUPAC3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(OC2CC2)C1C(=O)O
InChIInChI=1S/C9H14O3/c1-9(2)6(8(10)11)7(9)12-5-3-4-5/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyKOJMQPZXVSHEQA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.27
Rot. Bonds3

About 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid

3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 57224930) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID57224930
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(OC2CC2)C1C(=O)O
InChIInChI=1S/C9H14O3/c1-9(2)6(8(10)11)7(9)12-5-3-4-5/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyKOJMQPZXVSHEQA-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid (CID 57224930) is 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(OC2CC2)C1C(=O)O.
What is the InChIKey of 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is KOJMQPZXVSHEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(2)6(8(10)11)7(9)12-5-3-4-5/h5-7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid?
3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 57224930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).