[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate

C18H26O4 — CID 118108385

IUPAC[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate
SMILESCC(C)C(C)C(=O)Oc1ccccc1OC(=O)C(C)C(C)C
InChIInChI=1S/C18H26O4/c1-11(2)13(5)17(19)21-15-9-7-8-10-16(15)22-18(20)14(6)12(3)4/h7-14H,1-6H3
InChIKeyWVOULOHMMQTKIR-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.08
Rot. Bonds6

About [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate

[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate (PubChem CID 118108385) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate.

Molecular Properties

Compound Name[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate
PubChem CID118108385
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate
SMILESCC(C)C(C)C(=O)Oc1ccccc1OC(=O)C(C)C(C)C
InChIInChI=1S/C18H26O4/c1-11(2)13(5)17(19)21-15-9-7-8-10-16(15)22-18(20)14(6)12(3)4/h7-14H,1-6H3
InChIKeyWVOULOHMMQTKIR-UHFFFAOYSA-N
XLogP4.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate 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

(2-methoxyphenyl) 2-methylpropanoate
CID 836904
(2-propanoyloxyphenyl) 2-methylbutanoate
CID 90024366
[2-(2-ethylbutanoyloxy)phenyl] 2-ethylbutanoate
CID 118108382
3-O-(2-methoxyphenyl) 1-O-methyl 2-methylpropanedioate
CID 57097256
(2-sulfanylphenyl) (2S)-2-aminopropanoate
CID 89084583
(2-propanoyloxyphenyl) 2-methylhexanoate
CID 90025005
(2-ethoxyphenyl) 2-methylbutanoate
CID 118040361
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
(2-carbamoylphenyl) (2S)-2-aminopropanoate
CID 174745717
[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate
CID 91701441
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate?
The IUPAC name of [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate (CID 118108385) is [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate.
What is the SMILES notation for [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate?
The canonical SMILES for [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate is CC(C)C(C)C(=O)Oc1ccccc1OC(=O)C(C)C(C)C.
What is the InChIKey of [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate?
The InChIKey is WVOULOHMMQTKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-11(2)13(5)17(19)21-15-9-7-8-10-16(15)22-18(20)14(6)12(3)4/h7-14H,1-6H3.
What are the key properties of [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate?
[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate has a molecular weight of 306.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate is sourced from PubChem (CID 118108385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).