[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate

C14H26O4 — CID 59464527

IUPAC[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
SMILESCC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C
InChIInChI=1S/C14H26O4/c1-10(8-17-11(15)13(2,3)4)9-18-12(16)14(5,6)7/h10H,8-9H2,1-7H3
InChIKeyDWYBLEAHEFDRPG-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.80
Rot. Bonds4

About [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate

[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate (PubChem CID 59464527) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
PubChem CID59464527
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
SMILESCC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C
InChIInChI=1S/C14H26O4/c1-10(8-17-11(15)13(2,3)4)9-18-12(16)14(5,6)7/h10H,8-9H2,1-7H3
InChIKeyDWYBLEAHEFDRPG-UHFFFAOYSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
CID 169049082
2,3-dichloropropyl 2,2-dimethylpropanoate
CID 102162680
5-methylheptyl 2,2-dimethylpropanoate
CID 174762068
[3-(2,2-dimethylpropanoyloxy)-2-(methylsulfinylmethoxy)propyl] 2,2-dimethylpropanoate
CID 14159701
[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
[(2S,3R)-4,5-dibromo-2-(1,2-dibromoethyl)-3-(2,2-dimethylpropanoyloxymethyl)pentyl] 2,2-dimethylpropanoate
CID 10875917
[(2S)-2-[2-[[(2S)-1-(2,2-dimethylpropanoyloxy)butan-2-yl]amino]ethylamino]butyl] 2,2-dimethylpropanoate
CID 171348747
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate (CID 59464527) is [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate is CC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C.
What is the InChIKey of [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate?
The InChIKey is DWYBLEAHEFDRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-10(8-17-11(15)13(2,3)4)9-18-12(16)14(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate?
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate has a molecular weight of 258.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 59464527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).