4-ethoxydodec-11-en-5-one

C14H26O2 — CID 107008392

IUPAC4-ethoxydodec-11-en-5-one
SMILESC=CCCCCCC(=O)C(CCC)OCC
InChIInChI=1S/C14H26O2/c1-4-7-8-9-10-12-13(15)14(11-5-2)16-6-3/h4,14H,1,5-12H2,2-3H3
InChIKeyIEEUVZAFGCINCG-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.90
Rot. Bonds11

About 4-ethoxydodec-11-en-5-one

4-ethoxydodec-11-en-5-one (PubChem CID 107008392) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-ethoxydodec-11-en-5-one.

Molecular Properties

Compound Name4-ethoxydodec-11-en-5-one
PubChem CID107008392
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-ethoxydodec-11-en-5-one
SMILESC=CCCCCCC(=O)C(CCC)OCC
InChIInChI=1S/C14H26O2/c1-4-7-8-9-10-12-13(15)14(11-5-2)16-6-3/h4,14H,1,5-12H2,2-3H3
InChIKeyIEEUVZAFGCINCG-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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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Related Compounds

6-methoxynon-1-en-5-one
CID 116708016
6-ethoxy-1,1,1-trifluorononan-5-one
CID 116707742
ethyl 2-chloro-3-oxonon-8-enoate
CID 14175058
4-methoxypentadecan-5-one
CID 116708152
4-aminotridec-12-en-6-one
CID 107010989
12,12-diethoxydodec-1-ene
CID 146004846
pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
tricos-1-en-11-one
CID 146680996
pentadec-14-en-7-one
CID 11528685
dec-1-ene;dec-9-enoic acid
CID 87497067
ethyl hept-6-enoate
CID 560341

Frequently Asked Questions

What is the IUPAC name of 4-ethoxydodec-11-en-5-one?
The IUPAC name of 4-ethoxydodec-11-en-5-one (CID 107008392) is 4-ethoxydodec-11-en-5-one.
What is the SMILES notation for 4-ethoxydodec-11-en-5-one?
The canonical SMILES for 4-ethoxydodec-11-en-5-one is C=CCCCCCC(=O)C(CCC)OCC.
What is the InChIKey of 4-ethoxydodec-11-en-5-one?
The InChIKey is IEEUVZAFGCINCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-7-8-9-10-12-13(15)14(11-5-2)16-6-3/h4,14H,1,5-12H2,2-3H3.
What are the key properties of 4-ethoxydodec-11-en-5-one?
4-ethoxydodec-11-en-5-one has a molecular weight of 226.36 g/mol, XLogP of 3.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxydodec-11-en-5-one is sourced from PubChem (CID 107008392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).