6-ethoxytridecan-7-one

C15H30O2 — CID 10243469

IUPAC6-ethoxytridecan-7-one
SMILESCCCCCCC(=O)C(CCCCC)OCC
InChIInChI=1S/C15H30O2/c1-4-7-9-11-12-14(16)15(17-6-3)13-10-8-5-2/h15H,4-13H2,1-3H3
InChIKeyUFMQPESEZKBNIL-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.51
Rot. Bonds12

About 6-ethoxytridecan-7-one

6-ethoxytridecan-7-one (PubChem CID 10243469) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 6-ethoxytridecan-7-one.

Molecular Properties

Compound Name6-ethoxytridecan-7-one
PubChem CID10243469
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name6-ethoxytridecan-7-one
SMILESCCCCCCC(=O)C(CCCCC)OCC
InChIInChI=1S/C15H30O2/c1-4-7-9-11-12-14(16)15(17-6-3)13-10-8-5-2/h15H,4-13H2,1-3H3
InChIKeyUFMQPESEZKBNIL-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxytridecan-7-one?
The IUPAC name of 6-ethoxytridecan-7-one (CID 10243469) is 6-ethoxytridecan-7-one.
What is the SMILES notation for 6-ethoxytridecan-7-one?
The canonical SMILES for 6-ethoxytridecan-7-one is CCCCCCC(=O)C(CCCCC)OCC.
What is the InChIKey of 6-ethoxytridecan-7-one?
The InChIKey is UFMQPESEZKBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-7-9-11-12-14(16)15(17-6-3)13-10-8-5-2/h15H,4-13H2,1-3H3.
What are the key properties of 6-ethoxytridecan-7-one?
6-ethoxytridecan-7-one has a molecular weight of 242.40 g/mol, XLogP of 4.51, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxytridecan-7-one is sourced from PubChem (CID 10243469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).