2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid

C12H22O3 — CID 79622008

IUPAC2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid
SMILESCC1CCCCC1OCC(C)(C)C(=O)O
InChIInChI=1S/C12H22O3/c1-9-6-4-5-7-10(9)15-8-12(2,3)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyFZNIKPLMPSVRRF-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.69
Rot. Bonds4

About 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid

2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid (PubChem CID 79622008) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid
PubChem CID79622008
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid
SMILESCC1CCCCC1OCC(C)(C)C(=O)O
InChIInChI=1S/C12H22O3/c1-9-6-4-5-7-10(9)15-8-12(2,3)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyFZNIKPLMPSVRRF-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-Ethyl 2-hydroxycyclohexanecarboxylate
CID 1268212
methyl (1S,2S)-2-hydroxycyclohexane-1-carboxylate
CID 642634
Ethyl 2-hydroxycyclohexane-1-carboxylate
CID 303691
Propionic acid, 3-((2-ethylhexyl)oxy)-
CID 107229
Methyl 2-hydroxycyclohexanecarboxylate
CID 97999
cis-Ethyl 2-hydroxycyclohexanecarboxylate
CID 1268214
trans-Methyl 2-hydroxycyclohexanecarboxylate
CID 12495768
2-Methoxycyclohexane-1-carboxylic acid
CID 12589276
2-Propoxycyclohexane-1-carboxylic acid
CID 18953092
Ethyl (1S,2S)-2-hydroxycyclohexanecarboxylate
CID 1268213
Ethyl beta-hydroxycyclohexanepropanoate
CID 11481074
cis-Methyl 2-hydroxycyclohexanecarboxylate
CID 12495767

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid (CID 79622008) is 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid is CC1CCCCC1OCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid?
The InChIKey is FZNIKPLMPSVRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9-6-4-5-7-10(9)15-8-12(2,3)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid?
2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid is sourced from PubChem (CID 79622008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).