1,9-diethoxynonan-5-one

C13H26O3 — CID 150666797

IUPAC1,9-diethoxynonan-5-one
SMILESCCOCCCCC(=O)CCCCOCC
InChIInChI=1S/C13H26O3/c1-3-15-11-7-5-9-13(14)10-6-8-12-16-4-2/h3-12H2,1-2H3
InChIKeyJFARTOMDRPYKNQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.97
Rot. Bonds12

About 1,9-diethoxynonan-5-one

1,9-diethoxynonan-5-one (PubChem CID 150666797) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,9-diethoxynonan-5-one.

Molecular Properties

Compound Name1,9-diethoxynonan-5-one
PubChem CID150666797
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name1,9-diethoxynonan-5-one
SMILESCCOCCCCC(=O)CCCCOCC
InChIInChI=1S/C13H26O3/c1-3-15-11-7-5-9-13(14)10-6-8-12-16-4-2/h3-12H2,1-2H3
InChIKeyJFARTOMDRPYKNQ-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-ethoxynonane-2,5-dione
CID 13027943
8-ethoxy-6-oxooctanoic acid
CID 154310113
5-ethoxypentaneperoxoic acid
CID 59169108
1-dimethoxyphosphoryl-6-ethoxyhexan-2-one
CID 54140038
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
1-ethoxyoct-7-yn-4-one
CID 105100778
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
6-ethoxyhexyl 7-sulfanylheptanoate
CID 54496855
octyl 18-ethoxyoctadecanoate
CID 88843598
methylsilyl 12-ethoxydodecanoate
CID 148919463
octyl 5-ethoxypentanoate
CID 134561600
octyl 6-ethoxyhexanoate
CID 134561594

Frequently Asked Questions

What is the IUPAC name of 1,9-diethoxynonan-5-one?
The IUPAC name of 1,9-diethoxynonan-5-one (CID 150666797) is 1,9-diethoxynonan-5-one.
What is the SMILES notation for 1,9-diethoxynonan-5-one?
The canonical SMILES for 1,9-diethoxynonan-5-one is CCOCCCCC(=O)CCCCOCC.
What is the InChIKey of 1,9-diethoxynonan-5-one?
The InChIKey is JFARTOMDRPYKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-15-11-7-5-9-13(14)10-6-8-12-16-4-2/h3-12H2,1-2H3.
What are the key properties of 1,9-diethoxynonan-5-one?
1,9-diethoxynonan-5-one has a molecular weight of 230.35 g/mol, XLogP of 2.97, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diethoxynonan-5-one is sourced from PubChem (CID 150666797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).