2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid

C13H22O2 — CID 130488359

IUPAC2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
SMILESCC1CCC(C2C(C(=O)O)C2(C)C)CC1
InChIInChI=1S/C13H22O2/c1-8-4-6-9(7-5-8)10-11(12(14)15)13(10,2)3/h8-11H,4-7H2,1-3H3,(H,14,15)
InChIKeyFHRIYOXUUSLDHM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.17
Rot. Bonds2

About 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid (PubChem CID 130488359) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
PubChem CID130488359
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
SMILESCC1CCC(C2C(C(=O)O)C2(C)C)CC1
InChIInChI=1S/C13H22O2/c1-8-4-6-9(7-5-8)10-11(12(14)15)13(10,2)3/h8-11H,4-7H2,1-3H3,(H,14,15)
InChIKeyFHRIYOXUUSLDHM-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 55301010
trans-(1S,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 70465845
cis-(1S,3R)-2,2-dimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 51674234
trans-(1S,3S)-2,2-dimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 51674236
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 124510186
3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836209
2,2-dimethyl-3-[2-(4-methylcyclohexyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64836970
CID 173230624
CID 173230624
1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane
CID 130489296
(1S,2S,3S,4R)-2-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 7096076
2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835983
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid (CID 130488359) is 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid is CC1CCC(C2C(C(=O)O)C2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid?
The InChIKey is FHRIYOXUUSLDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-8-4-6-9(7-5-8)10-11(12(14)15)13(10,2)3/h8-11H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130488359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).