(E)-7-ethylundec-2-en-6-one

C13H24O — CID 91694770

IUPAC(E)-7-ethylundec-2-en-6-one
SMILESC/C=C/CCC(=O)C(CC)CCCC
InChIInChI=1S/C13H24O/c1-4-7-9-11-13(14)12(6-3)10-8-5-2/h4,7,12H,5-6,8-11H2,1-3H3/b7-4+
InChIKeyZBLYGRYROINQDI-QPJJXVBHSA-N
MW196.33 g/mol
LogP4.13
Rot. Bonds8

About (E)-7-ethylundec-2-en-6-one

(E)-7-ethylundec-2-en-6-one (PubChem CID 91694770) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (E)-7-ethylundec-2-en-6-one.

Molecular Properties

Compound Name(E)-7-ethylundec-2-en-6-one
PubChem CID91694770
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(E)-7-ethylundec-2-en-6-one
SMILESC/C=C/CCC(=O)C(CC)CCCC
InChIInChI=1S/C13H24O/c1-4-7-9-11-13(14)12(6-3)10-8-5-2/h4,7,12H,5-6,8-11H2,1-3H3/b7-4+
InChIKeyZBLYGRYROINQDI-QPJJXVBHSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethylpentadecan-6-one
CID 114966402
5-ethylundecan-4-one
CID 11687075
6-ethyl-2-methyl-5-oxodecanal
CID 170308949
2-ethylnon-7-enoic acid
CID 143730555
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
2-octylhexadeca-6,10,14-trienoic acid
CID 141369236
7,10-diethylhexadecane-8,9-dione
CID 150805323
5,11-diethyl-8,8-dimethylpentadecane-6,10-dione
CID 19870279
(E)-5-ethylpentadec-2-en-4-one
CID 11687471
tert-butyl 2-butylnon-7-enoate
CID 175548594
6-ethyl-2-methoxy-2-methyldecan-5-one
CID 103024705
2-ethylhexanoic acid;hexadecane
CID 174408772

Frequently Asked Questions

What is the IUPAC name of (E)-7-ethylundec-2-en-6-one?
The IUPAC name of (E)-7-ethylundec-2-en-6-one (CID 91694770) is (E)-7-ethylundec-2-en-6-one.
What is the SMILES notation for (E)-7-ethylundec-2-en-6-one?
The canonical SMILES for (E)-7-ethylundec-2-en-6-one is C/C=C/CCC(=O)C(CC)CCCC.
What is the InChIKey of (E)-7-ethylundec-2-en-6-one?
The InChIKey is ZBLYGRYROINQDI-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H24O/c1-4-7-9-11-13(14)12(6-3)10-8-5-2/h4,7,12H,5-6,8-11H2,1-3H3/b7-4+.
What are the key properties of (E)-7-ethylundec-2-en-6-one?
(E)-7-ethylundec-2-en-6-one has a molecular weight of 196.33 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-ethylundec-2-en-6-one is sourced from PubChem (CID 91694770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).