(E)-10-ethoxydec-9-en-5-one

C12H22O2 — CID 12757743

IUPAC(E)-10-ethoxydec-9-en-5-one
SMILESCCCCC(=O)CCC/C=C/OCC
InChIInChI=1S/C12H22O2/c1-3-5-9-12(13)10-7-6-8-11-14-4-2/h8,11H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyXFTDMWCYZNSWJD-DHZHZOJOSA-N
MW198.31 g/mol
LogP3.47
Rot. Bonds9

About (E)-10-ethoxydec-9-en-5-one

(E)-10-ethoxydec-9-en-5-one (PubChem CID 12757743) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-10-ethoxydec-9-en-5-one.

Molecular Properties

Compound Name(E)-10-ethoxydec-9-en-5-one
PubChem CID12757743
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-10-ethoxydec-9-en-5-one
SMILESCCCCC(=O)CCC/C=C/OCC
InChIInChI=1S/C12H22O2/c1-3-5-9-12(13)10-7-6-8-11-14-4-2/h8,11H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyXFTDMWCYZNSWJD-DHZHZOJOSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-10-ethoxydec-9-en-5-one?
The IUPAC name of (E)-10-ethoxydec-9-en-5-one (CID 12757743) is (E)-10-ethoxydec-9-en-5-one.
What is the SMILES notation for (E)-10-ethoxydec-9-en-5-one?
The canonical SMILES for (E)-10-ethoxydec-9-en-5-one is CCCCC(=O)CCC/C=C/OCC.
What is the InChIKey of (E)-10-ethoxydec-9-en-5-one?
The InChIKey is XFTDMWCYZNSWJD-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-9-12(13)10-7-6-8-11-14-4-2/h8,11H,3-7,9-10H2,1-2H3/b11-8+.
What are the key properties of (E)-10-ethoxydec-9-en-5-one?
(E)-10-ethoxydec-9-en-5-one has a molecular weight of 198.31 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-ethoxydec-9-en-5-one is sourced from PubChem (CID 12757743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).