7-ethylnonan-4-one

C11H22O — CID 537776

IUPAC7-ethylnonan-4-one
SMILESCCCC(=O)CCC(CC)CC
InChIInChI=1S/C11H22O/c1-4-7-11(12)9-8-10(5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyVKRGMUGBOKKSKN-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.57
Rot. Bonds7

About 7-ethylnonan-4-one

7-ethylnonan-4-one (PubChem CID 537776) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 7-ethylnonan-4-one.

Molecular Properties

Compound Name7-ethylnonan-4-one
PubChem CID537776
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name7-ethylnonan-4-one
SMILESCCCC(=O)CCC(CC)CC
InChIInChI=1S/C11H22O/c1-4-7-11(12)9-8-10(5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyVKRGMUGBOKKSKN-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-ethylundecane-4,6-dione
CID 175392725
7-(methoxymethyl)nonan-4-one
CID 123531318
9-ethylundecane-3,6-dione
CID 174193885
tetrakis(4-ethylhexanoate);tin(4+)
CID 161046368
2-methyl-5-oxooctanal
CID 155026119
9-amino-7-methylnonan-4-one
CID 116581538
8-amino-6-ethyloctan-3-one
CID 116578085
7-ethenyl-8-methyldecan-4-one
CID 176967408
tridecane-4,10-dione
CID 158766358
4-(bromomethyl)hexanoic acid
CID 88737518
6-ethyloct-1-en-3-one
CID 83963336
8-bromooctan-4-one
CID 15442624

Frequently Asked Questions

What is the IUPAC name of 7-ethylnonan-4-one?
The IUPAC name of 7-ethylnonan-4-one (CID 537776) is 7-ethylnonan-4-one.
What is the SMILES notation for 7-ethylnonan-4-one?
The canonical SMILES for 7-ethylnonan-4-one is CCCC(=O)CCC(CC)CC.
What is the InChIKey of 7-ethylnonan-4-one?
The InChIKey is VKRGMUGBOKKSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-7-11(12)9-8-10(5-2)6-3/h10H,4-9H2,1-3H3.
What are the key properties of 7-ethylnonan-4-one?
7-ethylnonan-4-one has a molecular weight of 170.30 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylnonan-4-one is sourced from PubChem (CID 537776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).