2-cyclohexyloxy-2-cyclopropylpropanoic acid

C12H20O3 — CID 82238646

IUPAC2-cyclohexyloxy-2-cyclopropylpropanoic acid
SMILESCC(OC1CCCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H20O3/c1-12(11(13)14,9-7-8-9)15-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyGRZIUSYILHPPMI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.59
Rot. Bonds4

About 2-cyclohexyloxy-2-cyclopropylpropanoic acid

2-cyclohexyloxy-2-cyclopropylpropanoic acid (PubChem CID 82238646) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyclohexyloxy-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-cyclohexyloxy-2-cyclopropylpropanoic acid
PubChem CID82238646
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-cyclohexyloxy-2-cyclopropylpropanoic acid
SMILESCC(OC1CCCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H20O3/c1-12(11(13)14,9-7-8-9)15-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyGRZIUSYILHPPMI-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-methoxypropanoic acid
CID 83827283
4-(2-cyclohexyloxypropan-2-yl)cyclohexan-1-ol
CID 163964872
2-cyclopentyloxy-2-ethylbutanoic acid
CID 114987710
2-cycloheptyloxy-4-methoxy-2-methylbutanoic acid
CID 114999950
2-cyclopentyloxy-2,5-dimethylhexanoic acid
CID 114988575
2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
CID 114997758
CID 174066686
CID 174066686
2-cyclohexylsulfanyl-2-cyclopropylpropanoic acid
CID 114990643
(2-cyclohexyl-3-oxobutan-2-yl) acetate
CID 70573535
2-cyclobutyloxy-2,4-dimethylpentanoic acid
CID 114995104
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
tricyclohexyloxymethylsilane
CID 173155170

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-2-cyclopropylpropanoic acid?
The IUPAC name of 2-cyclohexyloxy-2-cyclopropylpropanoic acid (CID 82238646) is 2-cyclohexyloxy-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-cyclohexyloxy-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-cyclohexyloxy-2-cyclopropylpropanoic acid is CC(OC1CCCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclohexyloxy-2-cyclopropylpropanoic acid?
The InChIKey is GRZIUSYILHPPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-12(11(13)14,9-7-8-9)15-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-cyclohexyloxy-2-cyclopropylpropanoic acid?
2-cyclohexyloxy-2-cyclopropylpropanoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-2-cyclopropylpropanoic acid is sourced from PubChem (CID 82238646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).