2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate

C12H22O4 — CID 153381891

IUPAC2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
SMILESCC(C)COC(=O)C(C)(C)OC(=O)C(C)C
InChIInChI=1S/C12H22O4/c1-8(2)7-15-11(14)12(5,6)16-10(13)9(3)4/h8-9H,7H2,1-6H3
InChIKeyNAOPSIVZSVKDRJ-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.16
Rot. Bonds5

About 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate

2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate (PubChem CID 153381891) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
PubChem CID153381891
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
SMILESCC(C)COC(=O)C(C)(C)OC(=O)C(C)C
InChIInChI=1S/C12H22O4/c1-8(2)7-15-11(14)12(5,6)16-10(13)9(3)4/h8-9H,7H2,1-6H3
InChIKeyNAOPSIVZSVKDRJ-UHFFFAOYSA-N
XLogP2.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate
CID 58312172
2-methylpropyl 2,2-diethylbutanoate
CID 139972882
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 88566374
bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
CID 139989397
bis(2-methylpropyl) 2,2,3-trimethylbutanedioate
CID 22639843
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
2-methylpropyl 2-(ethylamino)-2-methylpropanoate
CID 62821579
[3-methyl-2-(2-methylpropanoyloxy)butan-2-yl] 2-methylpropanoate
CID 19901577
cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 155589409
2-methyl-2-(2-methylpropoxy)propanamide
CID 137483152

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate?
The IUPAC name of 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate (CID 153381891) is 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate.
What is the SMILES notation for 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate?
The canonical SMILES for 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate is CC(C)COC(=O)C(C)(C)OC(=O)C(C)C.
What is the InChIKey of 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate?
The InChIKey is NAOPSIVZSVKDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-8(2)7-15-11(14)12(5,6)16-10(13)9(3)4/h8-9H,7H2,1-6H3.
What are the key properties of 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate?
2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate has a molecular weight of 230.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate is sourced from PubChem (CID 153381891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).