2-methylpropyl 2,2-diethylbutanoate

C12H24O2 — CID 139972882

IUPAC2-methylpropyl 2,2-diethylbutanoate
SMILESCCC(CC)(CC)C(=O)OCC(C)C
InChIInChI=1S/C12H24O2/c1-6-12(7-2,8-3)11(13)14-9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyRGLIDALITZARAL-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.40
Rot. Bonds6

About 2-methylpropyl 2,2-diethylbutanoate

2-methylpropyl 2,2-diethylbutanoate (PubChem CID 139972882) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-methylpropyl 2,2-diethylbutanoate.

Molecular Properties

Compound Name2-methylpropyl 2,2-diethylbutanoate
PubChem CID139972882
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-methylpropyl 2,2-diethylbutanoate
SMILESCCC(CC)(CC)C(=O)OCC(C)C
InChIInChI=1S/C12H24O2/c1-6-12(7-2,8-3)11(13)14-9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyRGLIDALITZARAL-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-(2-methylpropoxycarbonyl)pentanoic acid
CID 87559414
bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
CID 139989397
5-methyl-3-(2-methylpropoxycarbonyl)-3-(2-methylpropyl)hexanoic acid
CID 89052204
bis(2-methylpropyl) 2,2-bis(3-methylbutyl)butanedioate
CID 175175541
2-methylpropyl 2-(ethylamino)-2-methylpropanoate
CID 62821579
bis(2-methylpropyl) 2,2,3-trimethylbutanedioate
CID 22639843
1-O-(2-methylpropyl) 3-O-(1,1,1-trifluoropropan-2-yl) 2,2-diethylpropanedioate
CID 91693655
bis(2-methylpropyl) 2-ethyl-2-phenylpropanedioate
CID 118088367
2-methylpropyl 2,2-dimethylheptanoate
CID 58096950
[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 153381891
1-O-(2-methylpropyl) 3-O-nonyl 2,2-dimethylpropanedioate
CID 91714570

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2,2-diethylbutanoate?
The IUPAC name of 2-methylpropyl 2,2-diethylbutanoate (CID 139972882) is 2-methylpropyl 2,2-diethylbutanoate.
What is the SMILES notation for 2-methylpropyl 2,2-diethylbutanoate?
The canonical SMILES for 2-methylpropyl 2,2-diethylbutanoate is CCC(CC)(CC)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2,2-diethylbutanoate?
The InChIKey is RGLIDALITZARAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-12(7-2,8-3)11(13)14-9-10(4)5/h10H,6-9H2,1-5H3.
What are the key properties of 2-methylpropyl 2,2-diethylbutanoate?
2-methylpropyl 2,2-diethylbutanoate has a molecular weight of 200.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2,2-diethylbutanoate is sourced from PubChem (CID 139972882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).