3-ethoxy-3-methylundec-10-en-4-one

C14H26O2 — CID 107008402

IUPAC3-ethoxy-3-methylundec-10-en-4-one
SMILESC=CCCCCCC(=O)C(C)(CC)OCC
InChIInChI=1S/C14H26O2/c1-5-8-9-10-11-12-13(15)14(4,6-2)16-7-3/h5H,1,6-12H2,2-4H3
InChIKeyMOHDUQUESQEBRA-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.90
Rot. Bonds10

About 3-ethoxy-3-methylundec-10-en-4-one

3-ethoxy-3-methylundec-10-en-4-one (PubChem CID 107008402) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-ethoxy-3-methylundec-10-en-4-one.

Molecular Properties

Compound Name3-ethoxy-3-methylundec-10-en-4-one
PubChem CID107008402
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-ethoxy-3-methylundec-10-en-4-one
SMILESC=CCCCCCC(=O)C(C)(CC)OCC
InChIInChI=1S/C14H26O2/c1-5-8-9-10-11-12-13(15)14(4,6-2)16-7-3/h5H,1,6-12H2,2-4H3
InChIKeyMOHDUQUESQEBRA-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methylundec-10-en-4-one?
The IUPAC name of 3-ethoxy-3-methylundec-10-en-4-one (CID 107008402) is 3-ethoxy-3-methylundec-10-en-4-one.
What is the SMILES notation for 3-ethoxy-3-methylundec-10-en-4-one?
The canonical SMILES for 3-ethoxy-3-methylundec-10-en-4-one is C=CCCCCCC(=O)C(C)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-methylundec-10-en-4-one?
The InChIKey is MOHDUQUESQEBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-8-9-10-11-12-13(15)14(4,6-2)16-7-3/h5H,1,6-12H2,2-4H3.
What are the key properties of 3-ethoxy-3-methylundec-10-en-4-one?
3-ethoxy-3-methylundec-10-en-4-one has a molecular weight of 226.36 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methylundec-10-en-4-one is sourced from PubChem (CID 107008402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).