3-pentan-3-yloxane-3-carboxylic acid

C11H20O3 — CID 103743922

IUPAC3-pentan-3-yloxane-3-carboxylic acid
SMILESCCC(CC)C1(C(=O)O)CCCOC1
InChIInChI=1S/C11H20O3/c1-3-9(4-2)11(10(12)13)6-5-7-14-8-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyLPIQRHNUPBFSBR-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.30
Rot. Bonds4

About 3-pentan-3-yloxane-3-carboxylic acid

3-pentan-3-yloxane-3-carboxylic acid (PubChem CID 103743922) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-pentan-3-yloxane-3-carboxylic acid.

Molecular Properties

Compound Name3-pentan-3-yloxane-3-carboxylic acid
PubChem CID103743922
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-pentan-3-yloxane-3-carboxylic acid
SMILESCCC(CC)C1(C(=O)O)CCCOC1
InChIInChI=1S/C11H20O3/c1-3-9(4-2)11(10(12)13)6-5-7-14-8-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyLPIQRHNUPBFSBR-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 3-pentan-3-yloxane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-hydroxypropan-2-yl)oxane-3-carboxylic acid
CID 130502968
(3-methyloxan-3-yl) 3-methylpentanoate
CID 163541839
1-(1-pentan-3-ylcyclohexyl)ethanone
CID 67989831
3-[1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959327
3-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxane-3-carboxylic acid
CID 79489776
3-[(dimethylamino)methyl]oxane-3-carboxylic acid
CID 63740353
2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019
3-ethyloxolane-3-carboxylic acid
CID 62740785
3-propyl-1,4-oxazepane-3-carboxylic acid
CID 105442568
3-[(3,3-dimethylmorpholin-4-yl)methyl]oxane-3-carboxylic acid
CID 55242826
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]oxane-3-carboxylic acid
CID 63746748
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yloxane-3-carboxylic acid?
The IUPAC name of 3-pentan-3-yloxane-3-carboxylic acid (CID 103743922) is 3-pentan-3-yloxane-3-carboxylic acid.
What is the SMILES notation for 3-pentan-3-yloxane-3-carboxylic acid?
The canonical SMILES for 3-pentan-3-yloxane-3-carboxylic acid is CCC(CC)C1(C(=O)O)CCCOC1.
What is the InChIKey of 3-pentan-3-yloxane-3-carboxylic acid?
The InChIKey is LPIQRHNUPBFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-9(4-2)11(10(12)13)6-5-7-14-8-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-pentan-3-yloxane-3-carboxylic acid?
3-pentan-3-yloxane-3-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yloxane-3-carboxylic acid is sourced from PubChem (CID 103743922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).