2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid

C11H20O4 — CID 114989139

IUPAC2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid
SMILESCOCCCOC1CCCCC1C(=O)O
InChIInChI=1S/C11H20O4/c1-14-7-4-8-15-10-6-3-2-5-9(10)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeySSNAKSQSSNNDON-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds6

About 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid

2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid (PubChem CID 114989139) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid
PubChem CID114989139
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid
SMILESCOCCCOC1CCCCC1C(=O)O
InChIInChI=1S/C11H20O4/c1-14-7-4-8-15-10-6-3-2-5-9(10)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeySSNAKSQSSNNDON-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-(3-hydroxypropoxy)cycloheptane-1-carboxylic acid
CID 114989146
2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
CID 114989996
2-(3-methoxypropoxy)cyclododecan-1-amine
CID 54936156
2-(2-methylpropoxy)cyclopentane-1-carboxylic acid
CID 18953099
cis-(1S,2R)-2-[3-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94912240
potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate
CID 162751269
(1R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexane-1-carboxylic acid
CID 126658672
2-(3-methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817862
2-[4-(3-methoxypropoxy)-3-methylpyrrolidin-2-yl]acetic acid
CID 123947260
2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid
CID 82706757
3-methoxypropoxycyclooctane
CID 68608033
2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103415800

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid (CID 114989139) is 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid is COCCCOC1CCCCC1C(=O)O.
What is the InChIKey of 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid?
The InChIKey is SSNAKSQSSNNDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-14-7-4-8-15-10-6-3-2-5-9(10)11(12)13/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid?
2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114989139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).