2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione

C13H26O3 — CID 159586871

IUPAC2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione
SMILESCCOC(C)C.CC[C@H](CC(C)=O)C(C)=O
InChIInChI=1S/C8H14O2.C5H12O/c1-4-8(7(3)10)5-6(2)9;1-4-6-5(2)3/h8H,4-5H2,1-3H3;5H,4H2,1-3H3/t8-;/m1./s1
InChIKeyMJSNLCGXJHMQSM-DDWIOCJRSA-N
MW230.35 g/mol
LogP3.01
Rot. Bonds6

About 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione

2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione (PubChem CID 159586871) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione.

Molecular Properties

Compound Name2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione
PubChem CID159586871
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione
SMILESCCOC(C)C.CC[C@H](CC(C)=O)C(C)=O
InChIInChI=1S/C8H14O2.C5H12O/c1-4-8(7(3)10)5-6(2)9;1-4-6-5(2)3/h8H,4-5H2,1-3H3;5H,4H2,1-3H3/t8-;/m1./s1
InChIKeyMJSNLCGXJHMQSM-DDWIOCJRSA-N
XLogP3.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methylpentan-2-one;propane
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CID 145144041

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione?
The IUPAC name of 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione (CID 159586871) is 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione.
What is the SMILES notation for 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione?
The canonical SMILES for 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione is CCOC(C)C.CC[C@H](CC(C)=O)C(C)=O.
What is the InChIKey of 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione?
The InChIKey is MJSNLCGXJHMQSM-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H14O2.C5H12O/c1-4-8(7(3)10)5-6(2)9;1-4-6-5(2)3/h8H,4-5H2,1-3H3;5H,4H2,1-3H3/t8-;/m1./s1.
What are the key properties of 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione?
2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione has a molecular weight of 230.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropane;(3R)-3-ethylhexane-2,5-dione is sourced from PubChem (CID 159586871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).