5,7-diethyl-4,8-dimethylundecan-6-one

C17H34O — CID 139977052

IUPAC5,7-diethyl-4,8-dimethylundecan-6-one
SMILESCCCC(C)C(CC)C(=O)C(CC)C(C)CCC
InChIInChI=1S/C17H34O/c1-7-11-13(5)15(9-3)17(18)16(10-4)14(6)12-8-2/h13-16H,7-12H2,1-6H3
InChIKeyUQWSWTMQDQXTJO-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.48
Rot. Bonds10

About 5,7-diethyl-4,8-dimethylundecan-6-one

5,7-diethyl-4,8-dimethylundecan-6-one (PubChem CID 139977052) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 5,7-diethyl-4,8-dimethylundecan-6-one.

Molecular Properties

Compound Name5,7-diethyl-4,8-dimethylundecan-6-one
PubChem CID139977052
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name5,7-diethyl-4,8-dimethylundecan-6-one
SMILESCCCC(C)C(CC)C(=O)C(CC)C(C)CCC
InChIInChI=1S/C17H34O/c1-7-11-13(5)15(9-3)17(18)16(10-4)14(6)12-8-2/h13-16H,7-12H2,1-6H3
InChIKeyUQWSWTMQDQXTJO-UHFFFAOYSA-N
XLogP5.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Muskone
CID 10947
6-Methyl-2-heptanone
CID 13572
2-sec-Butyl cyclohexanone
CID 61771
6,10,14-Trimethyl-2-pentadecanone
CID 10408
2-Heptanone, 4,6-dimethyl-
CID 89180
6,10-Dimethylundecan-2-one
CID 95495
2,6,8-Trimethyl-4-nonanone
CID 61057
4-Methyl-2-heptanone
CID 94317
3-Methyl-4-octanone
CID 4075149
2-Dodecylcyclobutanone
CID 161875
Diisoamyl ketone
CID 62421
5-Methyl-2-octanone
CID 42802

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-4,8-dimethylundecan-6-one?
The IUPAC name of 5,7-diethyl-4,8-dimethylundecan-6-one (CID 139977052) is 5,7-diethyl-4,8-dimethylundecan-6-one.
What is the SMILES notation for 5,7-diethyl-4,8-dimethylundecan-6-one?
The canonical SMILES for 5,7-diethyl-4,8-dimethylundecan-6-one is CCCC(C)C(CC)C(=O)C(CC)C(C)CCC.
What is the InChIKey of 5,7-diethyl-4,8-dimethylundecan-6-one?
The InChIKey is UQWSWTMQDQXTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-7-11-13(5)15(9-3)17(18)16(10-4)14(6)12-8-2/h13-16H,7-12H2,1-6H3.
What are the key properties of 5,7-diethyl-4,8-dimethylundecan-6-one?
5,7-diethyl-4,8-dimethylundecan-6-one has a molecular weight of 254.46 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-4,8-dimethylundecan-6-one is sourced from PubChem (CID 139977052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).