1-cyclopropyl-1-ethoxynon-8-en-2-one

C14H24O2 — CID 107008397

IUPAC1-cyclopropyl-1-ethoxynon-8-en-2-one
SMILESC=CCCCCCC(=O)C(OCC)C1CC1
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-13(15)14(16-4-2)12-10-11-12/h3,12,14H,1,4-11H2,2H3
InChIKeyICNKSPBDKYVNIT-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.51
Rot. Bonds10

About 1-cyclopropyl-1-ethoxynon-8-en-2-one

1-cyclopropyl-1-ethoxynon-8-en-2-one (PubChem CID 107008397) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxynon-8-en-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxynon-8-en-2-one
PubChem CID107008397
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-cyclopropyl-1-ethoxynon-8-en-2-one
SMILESC=CCCCCCC(=O)C(OCC)C1CC1
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-13(15)14(16-4-2)12-10-11-12/h3,12,14H,1,4-11H2,2H3
InChIKeyICNKSPBDKYVNIT-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.51
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 1-cyclopropyl-1-ethoxynon-8-en-2-one?
The IUPAC name of 1-cyclopropyl-1-ethoxynon-8-en-2-one (CID 107008397) is 1-cyclopropyl-1-ethoxynon-8-en-2-one.
What is the SMILES notation for 1-cyclopropyl-1-ethoxynon-8-en-2-one?
The canonical SMILES for 1-cyclopropyl-1-ethoxynon-8-en-2-one is C=CCCCCCC(=O)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxynon-8-en-2-one?
The InChIKey is ICNKSPBDKYVNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-13(15)14(16-4-2)12-10-11-12/h3,12,14H,1,4-11H2,2H3.
What are the key properties of 1-cyclopropyl-1-ethoxynon-8-en-2-one?
1-cyclopropyl-1-ethoxynon-8-en-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxynon-8-en-2-one is sourced from PubChem (CID 107008397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).