3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C13H22O2 — CID 130488372

IUPAC3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(CC2CCCCC2)C1C(=O)O
InChIInChI=1S/C13H22O2/c1-13(2)10(11(13)12(14)15)8-9-6-4-3-5-7-9/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyDZHFACUJKVJDBP-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.31
Rot. Bonds3

About 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 130488372) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID130488372
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(CC2CCCCC2)C1C(=O)O
InChIInChI=1S/C13H22O2/c1-13(2)10(11(13)12(14)15)8-9-6-4-3-5-7-9/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyDZHFACUJKVJDBP-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 130488372) is 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(CC2CCCCC2)C1C(=O)O.
What is the InChIKey of 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is DZHFACUJKVJDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(2)10(11(13)12(14)15)8-9-6-4-3-5-7-9/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 130488372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).