2-ethoxy-2,4-dimethylheptan-3-one

C11H22O2 — CID 107896398

IUPAC2-ethoxy-2,4-dimethylheptan-3-one
SMILESCCCC(C)C(=O)C(C)(C)OCC
InChIInChI=1S/C11H22O2/c1-6-8-9(3)10(12)11(4,5)13-7-2/h9H,6-8H2,1-5H3
InChIKeyNOLCFWVFUAJMQS-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds6

About 2-ethoxy-2,4-dimethylheptan-3-one

2-ethoxy-2,4-dimethylheptan-3-one (PubChem CID 107896398) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-ethoxy-2,4-dimethylheptan-3-one.

Molecular Properties

Compound Name2-ethoxy-2,4-dimethylheptan-3-one
PubChem CID107896398
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-ethoxy-2,4-dimethylheptan-3-one
SMILESCCCC(C)C(=O)C(C)(C)OCC
InChIInChI=1S/C11H22O2/c1-6-8-9(3)10(12)11(4,5)13-7-2/h9H,6-8H2,1-5H3
InChIKeyNOLCFWVFUAJMQS-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3,5-dimethyloctan-4-one
CID 107890205
neodymium;tris(2,2,5-trimethyloctane-3,4-dione)
CID 175833712
1-chloro-1,1-difluoro-3-methylhexan-2-one
CID 107896380
(4R)-4-methylheptan-3-one
CID 12696684
(6S)-4,6-dimethylnonan-5-one
CID 177467625
ethyl (3S)-2-ethoxy-2,3-dimethylhexanoate
CID 118201125
3-ethoxy-3,5-dimethylheptan-4-one
CID 116746837
1-tert-butylsulfanyl-3-methylhexan-2-one
CID 107896295
2,2,5-trimethyloctane-3,4-dione
CID 11191887
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
2,5-dimethyloctan-4-one
CID 88817499
(2-ethoxy-3-methylbutan-2-yl) acetate
CID 141070948

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,4-dimethylheptan-3-one?
The IUPAC name of 2-ethoxy-2,4-dimethylheptan-3-one (CID 107896398) is 2-ethoxy-2,4-dimethylheptan-3-one.
What is the SMILES notation for 2-ethoxy-2,4-dimethylheptan-3-one?
The canonical SMILES for 2-ethoxy-2,4-dimethylheptan-3-one is CCCC(C)C(=O)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2,4-dimethylheptan-3-one?
The InChIKey is NOLCFWVFUAJMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-8-9(3)10(12)11(4,5)13-7-2/h9H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-2,4-dimethylheptan-3-one?
2-ethoxy-2,4-dimethylheptan-3-one has a molecular weight of 186.29 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,4-dimethylheptan-3-one is sourced from PubChem (CID 107896398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).