1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid

C14H26O4 — CID 103184870

IUPAC1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
SMILESCOCCCOCCC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C14H26O4/c1-12-5-3-6-14(11-12,13(15)16)7-10-18-9-4-8-17-2/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyMYOZSGCRTVFXOT-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.71
Rot. Bonds8

About 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid

1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 103184870) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
PubChem CID103184870
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
SMILESCOCCCOCCC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C14H26O4/c1-12-5-3-6-14(11-12,13(15)16)7-10-18-9-4-8-17-2/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyMYOZSGCRTVFXOT-UHFFFAOYSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.71
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

1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid
CID 103184874
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-(3,3-dimethylbutyl)-3-methylcyclohexane-1-carboxylic acid
CID 65393866
1-(3-ethoxypropyl)-3-methylcyclopentane-1-carboxylic acid
CID 65401094
1-(2-cyclohexylethyl)-3-methylcyclohexane-1-carboxylic acid
CID 114193199
1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
CID 106797314
1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid
CID 114989128
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 113427264
3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 79426055

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid (CID 103184870) is 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid is COCCCOCCC1(C(=O)O)CCCC(C)C1.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is MYOZSGCRTVFXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-12-5-3-6-14(11-12,13(15)16)7-10-18-9-4-8-17-2/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid?
1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 258.36 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 103184870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).