3-dodecyloxolane-3-carboxylic acid

C17H32O3 — CID 63402957

IUPAC3-dodecyloxolane-3-carboxylic acid
SMILESCCCCCCCCCCCCC1(C(=O)O)CCOC1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-17(16(18)19)13-14-20-15-17/h2-15H2,1H3,(H,18,19)
InChIKeyJSBAUSMGZRKVIT-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.79
Rot. Bonds12

About 3-dodecyloxolane-3-carboxylic acid

3-dodecyloxolane-3-carboxylic acid (PubChem CID 63402957) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-dodecyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-dodecyloxolane-3-carboxylic acid
PubChem CID63402957
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name3-dodecyloxolane-3-carboxylic acid
SMILESCCCCCCCCCCCCC1(C(=O)O)CCOC1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-17(16(18)19)13-14-20-15-17/h2-15H2,1H3,(H,18,19)
InChIKeyJSBAUSMGZRKVIT-UHFFFAOYSA-N
XLogP4.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.79
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-nonylcyclopropane-1-carboxylic acid
CID 54124337
3-ethyloxolane-3-carboxylic acid
CID 62740785
3-(2-ethylsulfonylethyl)oxolane-3-carboxylic acid
CID 62740969
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-octylcyclononane-1-carboxylic acid
CID 71245674
3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
CID 114473272
3-(3-phenylpropyl)oxolane-3-carboxylic acid
CID 62738542
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 175513547
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617

Frequently Asked Questions

What is the IUPAC name of 3-dodecyloxolane-3-carboxylic acid?
The IUPAC name of 3-dodecyloxolane-3-carboxylic acid (CID 63402957) is 3-dodecyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-dodecyloxolane-3-carboxylic acid?
The canonical SMILES for 3-dodecyloxolane-3-carboxylic acid is CCCCCCCCCCCCC1(C(=O)O)CCOC1.
What is the InChIKey of 3-dodecyloxolane-3-carboxylic acid?
The InChIKey is JSBAUSMGZRKVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-17(16(18)19)13-14-20-15-17/h2-15H2,1H3,(H,18,19).
What are the key properties of 3-dodecyloxolane-3-carboxylic acid?
3-dodecyloxolane-3-carboxylic acid has a molecular weight of 284.44 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyloxolane-3-carboxylic acid is sourced from PubChem (CID 63402957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).