5-ethyl-5,8,8-trimethyldecanal

C15H30O — CID 123353165

IUPAC5-ethyl-5,8,8-trimethyldecanal
SMILESCCC(C)(C)CCC(C)(CC)CCCC=O
InChIInChI=1S/C15H30O/c1-6-14(3,4)11-12-15(5,7-2)10-8-9-13-16/h13H,6-12H2,1-5H3
InChIKeyMVLKWQTWJAKABC-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.99
Rot. Bonds9

About 5-ethyl-5,8,8-trimethyldecanal

5-ethyl-5,8,8-trimethyldecanal (PubChem CID 123353165) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 5-ethyl-5,8,8-trimethyldecanal.

Molecular Properties

Compound Name5-ethyl-5,8,8-trimethyldecanal
PubChem CID123353165
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name5-ethyl-5,8,8-trimethyldecanal
SMILESCCC(C)(C)CCC(C)(CC)CCCC=O
InChIInChI=1S/C15H30O/c1-6-14(3,4)11-12-15(5,7-2)10-8-9-13-16/h13H,6-12H2,1-5H3
InChIKeyMVLKWQTWJAKABC-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5,8,8-trimethyldecanal?
The IUPAC name of 5-ethyl-5,8,8-trimethyldecanal (CID 123353165) is 5-ethyl-5,8,8-trimethyldecanal.
What is the SMILES notation for 5-ethyl-5,8,8-trimethyldecanal?
The canonical SMILES for 5-ethyl-5,8,8-trimethyldecanal is CCC(C)(C)CCC(C)(CC)CCCC=O.
What is the InChIKey of 5-ethyl-5,8,8-trimethyldecanal?
The InChIKey is MVLKWQTWJAKABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-6-14(3,4)11-12-15(5,7-2)10-8-9-13-16/h13H,6-12H2,1-5H3.
What are the key properties of 5-ethyl-5,8,8-trimethyldecanal?
5-ethyl-5,8,8-trimethyldecanal has a molecular weight of 226.40 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5,8,8-trimethyldecanal is sourced from PubChem (CID 123353165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).