[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate

C17H32O4 — CID 169049082

IUPAC[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H32O4/c1-15(2,3)12(10-20-13(18)16(4,5)6)11-21-14(19)17(7,8)9/h12H,10-11H2,1-9H3
InChIKeyBOQPWSZJTLGLIT-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.83
Rot. Bonds4

About [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate

[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate (PubChem CID 169049082) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
PubChem CID169049082
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H32O4/c1-15(2,3)12(10-20-13(18)16(4,5)6)11-21-14(19)17(7,8)9/h12H,10-11H2,1-9H3
InChIKeyBOQPWSZJTLGLIT-UHFFFAOYSA-N
XLogP3.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
2,3-dichloropropyl 2,2-dimethylpropanoate
CID 102162680
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
[(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
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
[(2S,4S)-3-acetyloxy-2,4-bis(acetyloxymethyl)-5-(2,2-dimethylpropanoyloxy)pentyl] 2,2-dimethylpropanoate
CID 122405883
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
CID 88553143
[(2R)-2-(chloroamino)-3-sulfanylpropyl] 2,2-dimethylpropanoate
CID 143825709

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate (CID 169049082) is [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate?
The InChIKey is BOQPWSZJTLGLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-15(2,3)12(10-20-13(18)16(4,5)6)11-21-14(19)17(7,8)9/h12H,10-11H2,1-9H3.
What are the key properties of [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate?
[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate has a molecular weight of 300.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 169049082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).