2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid

C13H24O3 — CID 97424908

IUPAC2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
SMILESCCCC[C@@]1(CC(=O)O)CCOC(C)(C)C1
InChIInChI=1S/C13H24O3/c1-4-5-6-13(9-11(14)15)7-8-16-12(2,3)10-13/h4-10H2,1-3H3,(H,14,15)/t13-/m0/s1
InChIKeyZXGYYRYGYLSGJQ-ZDUSSCGKSA-N
MW228.33 g/mol
LogP3.23
Rot. Bonds5

About 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid

2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid (PubChem CID 97424908) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
PubChem CID97424908
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
SMILESCCCC[C@@]1(CC(=O)O)CCOC(C)(C)C1
InChIInChI=1S/C13H24O3/c1-4-5-6-13(9-11(14)15)7-8-16-12(2,3)10-13/h4-10H2,1-3H3,(H,14,15)/t13-/m0/s1
InChIKeyZXGYYRYGYLSGJQ-ZDUSSCGKSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic 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

N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
CID 97423865
2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone
CID 97265501
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
2-[4-(diethylamino)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526617
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
CID 167558063
2-[4-(azepan-1-yl)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526749
3-[1-(2-carboxyethyl)-4,4-dioctadecylcyclohexyl]propanoic acid
CID 139787373
2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetic acid
CID 2877791
(1-butylcyclobutyl)methanol
CID 12786214
3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978638
4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid
CID 103377682

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid (CID 97424908) is 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid is CCCC[C@@]1(CC(=O)O)CCOC(C)(C)C1.
What is the InChIKey of 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid?
The InChIKey is ZXGYYRYGYLSGJQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-5-6-13(9-11(14)15)7-8-16-12(2,3)10-13/h4-10H2,1-3H3,(H,14,15)/t13-/m0/s1.
What are the key properties of 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid?
2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid has a molecular weight of 228.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid is sourced from PubChem (CID 97424908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).