6-ethyl-2-methyl-5-oxodecanal

C13H24O2 — CID 170308949

IUPAC6-ethyl-2-methyl-5-oxodecanal
SMILESCCCCC(CC)C(=O)CCC(C)C=O
InChIInChI=1S/C13H24O2/c1-4-6-7-12(5-2)13(15)9-8-11(3)10-14/h10-12H,4-9H2,1-3H3
InChIKeyKSWTULIAIFBWMD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.39
Rot. Bonds9

About 6-ethyl-2-methyl-5-oxodecanal

6-ethyl-2-methyl-5-oxodecanal (PubChem CID 170308949) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 6-ethyl-2-methyl-5-oxodecanal.

Molecular Properties

Compound Name6-ethyl-2-methyl-5-oxodecanal
PubChem CID170308949
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name6-ethyl-2-methyl-5-oxodecanal
SMILESCCCCC(CC)C(=O)CCC(C)C=O
InChIInChI=1S/C13H24O2/c1-4-6-7-12(5-2)13(15)9-8-11(3)10-14/h10-12H,4-9H2,1-3H3
InChIKeyKSWTULIAIFBWMD-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethylpentadecan-6-one
CID 114966402
(E)-7-ethylundec-2-en-6-one
CID 91694770
5-ethylundecan-4-one
CID 11687075
(2S)-2,6-dimethyl-5-oxoheptanal
CID 10511104
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
2-methyldodecanal
CID 87784106
magnesium;hydride;2-methylhexanal
CID 175489752
6-ethyl-2-methyldecane-3,5-dione
CID 158922502
2-methyl-5-oxooctanal
CID 155026119
5,11-diethyl-8,8-dimethylpentadecane-6,10-dione
CID 19870279
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
6-ethyl-2-methoxy-2-methyldecan-5-one
CID 103024705

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-5-oxodecanal?
The IUPAC name of 6-ethyl-2-methyl-5-oxodecanal (CID 170308949) is 6-ethyl-2-methyl-5-oxodecanal.
What is the SMILES notation for 6-ethyl-2-methyl-5-oxodecanal?
The canonical SMILES for 6-ethyl-2-methyl-5-oxodecanal is CCCCC(CC)C(=O)CCC(C)C=O.
What is the InChIKey of 6-ethyl-2-methyl-5-oxodecanal?
The InChIKey is KSWTULIAIFBWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-12(5-2)13(15)9-8-11(3)10-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 6-ethyl-2-methyl-5-oxodecanal?
6-ethyl-2-methyl-5-oxodecanal has a molecular weight of 212.33 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-5-oxodecanal is sourced from PubChem (CID 170308949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).