7-ethylundecan-3-one

C13H26O — CID 64522719

IUPAC7-ethylundecan-3-one
SMILESCCCCC(CC)CCCC(=O)CC
InChIInChI=1S/C13H26O/c1-4-7-9-12(5-2)10-8-11-13(14)6-3/h12H,4-11H2,1-3H3
InChIKeyHUIXKIVNIOVVEE-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.35
Rot. Bonds9

About 7-ethylundecan-3-one

7-ethylundecan-3-one (PubChem CID 64522719) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 7-ethylundecan-3-one.

Molecular Properties

Compound Name7-ethylundecan-3-one
PubChem CID64522719
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name7-ethylundecan-3-one
SMILESCCCCC(CC)CCCC(=O)CC
InChIInChI=1S/C13H26O/c1-4-7-9-12(5-2)10-8-11-13(14)6-3/h12H,4-11H2,1-3H3
InChIKeyHUIXKIVNIOVVEE-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-ethyl-12,16-dimethylheptadecan-3-one
CID 163268451
4-ethylnonanethioic S-acid
CID 57093694
1-chloro-6-ethyldecan-4-one
CID 66044680
5-butyl-12-propylheptadecan-8-one
CID 91303627
ethane;7-methyloctan-3-one
CID 142816942
9-ethylundecane-3,6-dione
CID 174193885
8-amino-6-ethyloctan-3-one
CID 116578085
CID 159048061
CID 159048061
tetracosane-3,13-dione
CID 143607999
decan-3-one;hydrochloride
CID 22446547
23-dodecylpentatriacontan-12-one
CID 140659228
5-ethyldecanedioic acid
CID 54495296

Frequently Asked Questions

What is the IUPAC name of 7-ethylundecan-3-one?
The IUPAC name of 7-ethylundecan-3-one (CID 64522719) is 7-ethylundecan-3-one.
What is the SMILES notation for 7-ethylundecan-3-one?
The canonical SMILES for 7-ethylundecan-3-one is CCCCC(CC)CCCC(=O)CC.
What is the InChIKey of 7-ethylundecan-3-one?
The InChIKey is HUIXKIVNIOVVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-7-9-12(5-2)10-8-11-13(14)6-3/h12H,4-11H2,1-3H3.
What are the key properties of 7-ethylundecan-3-one?
7-ethylundecan-3-one has a molecular weight of 198.35 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylundecan-3-one is sourced from PubChem (CID 64522719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).