4-ethoxyoctan-3-one

C10H20O2 — CID 83226323

IUPAC4-ethoxyoctan-3-one
SMILESCCCCC(OCC)C(=O)CC
InChIInChI=1S/C10H20O2/c1-4-7-8-10(12-6-3)9(11)5-2/h10H,4-8H2,1-3H3
InChIKeyWZSOHUXMXLLXNZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.56
Rot. Bonds7

About 4-ethoxyoctan-3-one

4-ethoxyoctan-3-one (PubChem CID 83226323) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethoxyoctan-3-one.

Molecular Properties

Compound Name4-ethoxyoctan-3-one
PubChem CID83226323
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-ethoxyoctan-3-one
SMILESCCCCC(OCC)C(=O)CC
InChIInChI=1S/C10H20O2/c1-4-7-8-10(12-6-3)9(11)5-2/h10H,4-8H2,1-3H3
InChIKeyWZSOHUXMXLLXNZ-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cerium(3+);tris(2-ethoxyhexanoate)
CID 22559432
4-methoxydecan-3-one
CID 83226087
2-ethoxyicosanoic acid
CID 86106777
3-ethoxyundecan-2-one
CID 10262699
4-methoxyundecan-3-one
CID 83225236
2-ethoxy-1-silylundecan-1-one
CID 174059863
2-ethoxyoctanamide
CID 174492663
phenyl 2-ethoxyhexanoate
CID 174752076
diazanium;2-butyl-5-ethoxyhexanedioate
CID 156787256
5-methoxynonan-4-one
CID 83225262
6-ethoxy-1,1,1-trifluorononan-5-one
CID 116707742
3-ethoxy-1-methylsulfanylheptan-4-one
CID 83226225

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyoctan-3-one?
The IUPAC name of 4-ethoxyoctan-3-one (CID 83226323) is 4-ethoxyoctan-3-one.
What is the SMILES notation for 4-ethoxyoctan-3-one?
The canonical SMILES for 4-ethoxyoctan-3-one is CCCCC(OCC)C(=O)CC.
What is the InChIKey of 4-ethoxyoctan-3-one?
The InChIKey is WZSOHUXMXLLXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-8-10(12-6-3)9(11)5-2/h10H,4-8H2,1-3H3.
What are the key properties of 4-ethoxyoctan-3-one?
4-ethoxyoctan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyoctan-3-one is sourced from PubChem (CID 83226323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).