7-ethoxy-4-ethyl-2-methylnon-8-en-3-one

C14H26O2 — CID 170077623

IUPAC7-ethoxy-4-ethyl-2-methylnon-8-en-3-one
SMILESC=CC(CCC(CC)C(=O)C(C)C)OCC
InChIInChI=1S/C14H26O2/c1-6-12(14(15)11(4)5)9-10-13(7-2)16-8-3/h7,11-13H,2,6,8-10H2,1,3-5H3
InChIKeyHRBRYGBDEOPAGM-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.61
Rot. Bonds9

About 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one

7-ethoxy-4-ethyl-2-methylnon-8-en-3-one (PubChem CID 170077623) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one.

Molecular Properties

Compound Name7-ethoxy-4-ethyl-2-methylnon-8-en-3-one
PubChem CID170077623
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name7-ethoxy-4-ethyl-2-methylnon-8-en-3-one
SMILESC=CC(CCC(CC)C(=O)C(C)C)OCC
InChIInChI=1S/C14H26O2/c1-6-12(14(15)11(4)5)9-10-13(7-2)16-8-3/h7,11-13H,2,6,8-10H2,1,3-5H3
InChIKeyHRBRYGBDEOPAGM-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one?
The IUPAC name of 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one (CID 170077623) is 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one.
What is the SMILES notation for 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one?
The canonical SMILES for 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one is C=CC(CCC(CC)C(=O)C(C)C)OCC.
What is the InChIKey of 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one?
The InChIKey is HRBRYGBDEOPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-12(14(15)11(4)5)9-10-13(7-2)16-8-3/h7,11-13H,2,6,8-10H2,1,3-5H3.
What are the key properties of 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one?
7-ethoxy-4-ethyl-2-methylnon-8-en-3-one has a molecular weight of 226.36 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-ethyl-2-methylnon-8-en-3-one is sourced from PubChem (CID 170077623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).