7-ethylundec-1-en-1-one

C13H24O — CID 57051500

IUPAC7-ethylundec-1-en-1-one
SMILESCCCCC(CC)CCCCC=C=O
InChIInChI=1S/C13H24O/c1-3-5-10-13(4-2)11-8-6-7-9-12-14/h9,13H,3-8,10-11H2,1-2H3
InChIKeyUPGSCQAHWMRYGH-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.15
Rot. Bonds9

About 7-ethylundec-1-en-1-one

7-ethylundec-1-en-1-one (PubChem CID 57051500) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 7-ethylundec-1-en-1-one.

Molecular Properties

Compound Name7-ethylundec-1-en-1-one
PubChem CID57051500
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name7-ethylundec-1-en-1-one
SMILESCCCCC(CC)CCCCC=C=O
InChIInChI=1S/C13H24O/c1-3-5-10-13(4-2)11-8-6-7-9-12-14/h9,13H,3-8,10-11H2,1-2H3
InChIKeyUPGSCQAHWMRYGH-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethylundec-1-en-1-one?
The IUPAC name of 7-ethylundec-1-en-1-one (CID 57051500) is 7-ethylundec-1-en-1-one.
What is the SMILES notation for 7-ethylundec-1-en-1-one?
The canonical SMILES for 7-ethylundec-1-en-1-one is CCCCC(CC)CCCCC=C=O.
What is the InChIKey of 7-ethylundec-1-en-1-one?
The InChIKey is UPGSCQAHWMRYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-10-13(4-2)11-8-6-7-9-12-14/h9,13H,3-8,10-11H2,1-2H3.
What are the key properties of 7-ethylundec-1-en-1-one?
7-ethylundec-1-en-1-one has a molecular weight of 196.33 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylundec-1-en-1-one is sourced from PubChem (CID 57051500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).