2-methylpropyl 2,3-diethyl-4-oxooctanoate

C16H30O3 — CID 142729950

IUPAC2-methylpropyl 2,3-diethyl-4-oxooctanoate
SMILESCCCCC(=O)C(CC)C(CC)C(=O)OCC(C)C
InChIInChI=1S/C16H30O3/c1-6-9-10-15(17)13(7-2)14(8-3)16(18)19-11-12(4)5/h12-14H,6-11H2,1-5H3
InChIKeyLAQGNLHKZPCCRT-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.00
Rot. Bonds10

About 2-methylpropyl 2,3-diethyl-4-oxooctanoate

2-methylpropyl 2,3-diethyl-4-oxooctanoate (PubChem CID 142729950) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-methylpropyl 2,3-diethyl-4-oxooctanoate.

Molecular Properties

Compound Name2-methylpropyl 2,3-diethyl-4-oxooctanoate
PubChem CID142729950
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-methylpropyl 2,3-diethyl-4-oxooctanoate
SMILESCCCCC(=O)C(CC)C(CC)C(=O)OCC(C)C
InChIInChI=1S/C16H30O3/c1-6-9-10-15(17)13(7-2)14(8-3)16(18)19-11-12(4)5/h12-14H,6-11H2,1-5H3
InChIKeyLAQGNLHKZPCCRT-UHFFFAOYSA-N
XLogP4.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,3-bis(2-methylpropyl)-4-oxooctanoate
CID 142729958
2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
methyl 2,3-bis(2-methylpropyl)-4-oxooctanoate
CID 142730002
bis(2-methylpropyl) 2-butylpropanedioate
CID 141396067
bis(2-methylpropyl) (Z)-2-butyl-3-propylbut-2-enedioate
CID 88548937
alumane;2-methylpropyl 2-ethylhexanoate
CID 174410098
octyl 2,3-diethyl-4-oxohexanoate
CID 142729905
butanoic acid;2-methylpropyl 2-methylpropanoate
CID 174912688
2-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]hexanoic acid
CID 175563622
bis(2-methylpropyl) (Z)-2-butyl-3-hexylbut-2-enedioate
CID 88549378
2-methylpropyl 2-ethylnonanoate
CID 175297252
methyl 2,3-diethyl-4-oxoheptanoate
CID 142729976

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2,3-diethyl-4-oxooctanoate?
The IUPAC name of 2-methylpropyl 2,3-diethyl-4-oxooctanoate (CID 142729950) is 2-methylpropyl 2,3-diethyl-4-oxooctanoate.
What is the SMILES notation for 2-methylpropyl 2,3-diethyl-4-oxooctanoate?
The canonical SMILES for 2-methylpropyl 2,3-diethyl-4-oxooctanoate is CCCCC(=O)C(CC)C(CC)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2,3-diethyl-4-oxooctanoate?
The InChIKey is LAQGNLHKZPCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-6-9-10-15(17)13(7-2)14(8-3)16(18)19-11-12(4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-methylpropyl 2,3-diethyl-4-oxooctanoate?
2-methylpropyl 2,3-diethyl-4-oxooctanoate has a molecular weight of 270.41 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2,3-diethyl-4-oxooctanoate is sourced from PubChem (CID 142729950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).