1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid

C11H20O3 — CID 125453432

IUPAC1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid
SMILESCOCCCC1(C(=O)O)CC(C)(C)C1
InChIInChI=1S/C11H20O3/c1-10(2)7-11(8-10,9(12)13)5-4-6-14-3/h4-8H2,1-3H3,(H,12,13)
InChIKeyREXQJGVGLZTFDL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.30
Rot. Bonds5

About 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid

1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid (PubChem CID 125453432) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid
PubChem CID125453432
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid
SMILESCOCCCC1(C(=O)O)CC(C)(C)C1
InChIInChI=1S/C11H20O3/c1-10(2)7-11(8-10,9(12)13)5-4-6-14-3/h4-8H2,1-3H3,(H,12,13)
InChIKeyREXQJGVGLZTFDL-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63141172
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
3-(4-methoxybutyl)-1,1-dioxothiolane-3-carboxylic acid
CID 104650576
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
1-(carboxymethyl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 70764061
3-(4-methoxybutyl)piperidine-3-carboxylic acid
CID 104648540
4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
CID 67624891
tert-butyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
CID 154791918
methyl 1-(hydroxymethyl)-3,3-dimethylcyclobutane-1-carboxylate
CID 115013996
1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 72855120

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid (CID 125453432) is 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid is COCCCC1(C(=O)O)CC(C)(C)C1.
What is the InChIKey of 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is REXQJGVGLZTFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2)7-11(8-10,9(12)13)5-4-6-14-3/h4-8H2,1-3H3,(H,12,13).
What are the key properties of 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 125453432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).