1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid

C11H20O4 — CID 114989128

IUPAC1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid
SMILESCOCCOC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C11H20O4/c1-9-4-3-5-11(8-9,10(12)13)15-7-6-14-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyBFRKSEJQFQSKDN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds5

About 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid

1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid (PubChem CID 114989128) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid
PubChem CID114989128
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid
SMILESCOCCOC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C11H20O4/c1-9-4-3-5-11(8-9,10(12)13)15-7-6-14-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyBFRKSEJQFQSKDN-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 82236601
1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid
CID 114987778
1-(1-ethoxy-3-methylcyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116749940
4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one
CID 116749704
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
CID 103184870
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749804
1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 83226491
1-(1-ethoxy-3-methylcyclohexyl)prop-2-en-1-one
CID 116749931
1-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291087

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid (CID 114989128) is 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid is COCCOC1(C(=O)O)CCCC(C)C1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is BFRKSEJQFQSKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9-4-3-5-11(8-9,10(12)13)15-7-6-14-2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid?
1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114989128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).