5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one

C15H26O3 — CID 11118622

IUPAC5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one
SMILESC=CCCCC(C=C)C(C)(CC(C)=O)OCCO
InChIInChI=1S/C15H26O3/c1-5-7-8-9-14(6-2)15(4,12-13(3)17)18-11-10-16/h5-6,14,16H,1-2,7-12H2,3-4H3
InChIKeyPXHWTIAFAOVTEY-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.89
Rot. Bonds11

About 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one

5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one (PubChem CID 11118622) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one.

Molecular Properties

Compound Name5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one
PubChem CID11118622
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one
SMILESC=CCCCC(C=C)C(C)(CC(C)=O)OCCO
InChIInChI=1S/C15H26O3/c1-5-7-8-9-14(6-2)15(4,12-13(3)17)18-11-10-16/h5-6,14,16H,1-2,7-12H2,3-4H3
InChIKeyPXHWTIAFAOVTEY-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one?
The IUPAC name of 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one (CID 11118622) is 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one.
What is the SMILES notation for 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one?
The canonical SMILES for 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one is C=CCCCC(C=C)C(C)(CC(C)=O)OCCO.
What is the InChIKey of 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one?
The InChIKey is PXHWTIAFAOVTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-7-8-9-14(6-2)15(4,12-13(3)17)18-11-10-16/h5-6,14,16H,1-2,7-12H2,3-4H3.
What are the key properties of 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one?
5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one is sourced from PubChem (CID 11118622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).