7-ethyl-2-methylundec-1-en-5-one

C14H26O — CID 139807060

IUPAC7-ethyl-2-methylundec-1-en-5-one
SMILESC=C(C)CCC(=O)CC(CC)CCCC
InChIInChI=1S/C14H26O/c1-5-7-8-13(6-2)11-14(15)10-9-12(3)4/h13H,3,5-11H2,1-2,4H3
InChIKeyUAWLAMHCLGZJCF-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.52
Rot. Bonds9

About 7-ethyl-2-methylundec-1-en-5-one

7-ethyl-2-methylundec-1-en-5-one (PubChem CID 139807060) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 7-ethyl-2-methylundec-1-en-5-one.

Molecular Properties

Compound Name7-ethyl-2-methylundec-1-en-5-one
PubChem CID139807060
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name7-ethyl-2-methylundec-1-en-5-one
SMILESC=C(C)CCC(=O)CC(CC)CCCC
InChIInChI=1S/C14H26O/c1-5-7-8-13(6-2)11-14(15)10-9-12(3)4/h13H,3,5-11H2,1-2,4H3
InChIKeyUAWLAMHCLGZJCF-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.52
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

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CID 159696376
5-ethyl-1-pyridin-4-ylnonan-3-one
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3-ethylheptaneperoxoic acid
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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methylundec-1-en-5-one?
The IUPAC name of 7-ethyl-2-methylundec-1-en-5-one (CID 139807060) is 7-ethyl-2-methylundec-1-en-5-one.
What is the SMILES notation for 7-ethyl-2-methylundec-1-en-5-one?
The canonical SMILES for 7-ethyl-2-methylundec-1-en-5-one is C=C(C)CCC(=O)CC(CC)CCCC.
What is the InChIKey of 7-ethyl-2-methylundec-1-en-5-one?
The InChIKey is UAWLAMHCLGZJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-7-8-13(6-2)11-14(15)10-9-12(3)4/h13H,3,5-11H2,1-2,4H3.
What are the key properties of 7-ethyl-2-methylundec-1-en-5-one?
7-ethyl-2-methylundec-1-en-5-one has a molecular weight of 210.36 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methylundec-1-en-5-one is sourced from PubChem (CID 139807060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).