2-[1-(methoxymethyl)cyclohexyl]acetic acid

C10H18O3 — CID 115017080

IUPAC2-[1-(methoxymethyl)cyclohexyl]acetic acid
SMILESCOCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C10H18O3/c1-13-8-10(7-9(11)12)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyFAHSMDMPBFATDI-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-(methoxymethyl)cyclohexyl]acetic acid

2-[1-(methoxymethyl)cyclohexyl]acetic acid (PubChem CID 115017080) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(methoxymethyl)cyclohexyl]acetic acid
PubChem CID115017080
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[1-(methoxymethyl)cyclohexyl]acetic acid
SMILESCOCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C10H18O3/c1-13-8-10(7-9(11)12)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyFAHSMDMPBFATDI-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 60941962
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
5-(methoxymethyl)bicyclo[3.1.0]hexane-1-carboxylic acid
CID 14044606
2-[1-[4-hydroxy-7-[1-(methoxymethyl)cyclopropyl]heptyl]cyclopropyl]acetic acid
CID 66921109
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
carbanide;[1-(carboxymethyl)cyclohexyl]methylazanide;tungsten(2+)
CID 145459251
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(methoxymethyl)cyclohexyl]acetic acid (CID 115017080) is 2-[1-(methoxymethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(methoxymethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(methoxymethyl)cyclohexyl]acetic acid is COCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(methoxymethyl)cyclohexyl]acetic acid?
The InChIKey is FAHSMDMPBFATDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-13-8-10(7-9(11)12)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12).
What are the key properties of 2-[1-(methoxymethyl)cyclohexyl]acetic acid?
2-[1-(methoxymethyl)cyclohexyl]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 115017080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).