2-(2-ethoxyethoxy)octanal

C12H24O3 — CID 22457210

IUPAC2-(2-ethoxyethoxy)octanal
SMILESCCCCCCC(C=O)OCCOCC
InChIInChI=1S/C12H24O3/c1-3-5-6-7-8-12(11-13)15-10-9-14-4-2/h11-12H,3-10H2,1-2H3
InChIKeyHLTFODXUKAAWSR-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.58
Rot. Bonds11

About 2-(2-ethoxyethoxy)octanal

2-(2-ethoxyethoxy)octanal (PubChem CID 22457210) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)octanal.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)octanal
PubChem CID22457210
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-(2-ethoxyethoxy)octanal
SMILESCCCCCCC(C=O)OCCOCC
InChIInChI=1S/C12H24O3/c1-3-5-6-7-8-12(11-13)15-10-9-14-4-2/h11-12H,3-10H2,1-2H3
InChIKeyHLTFODXUKAAWSR-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
CID 175685028
2-(2-ethoxyethoxy)octanenitrile
CID 121008530
1-ethoxynonan-4-amine
CID 105129941
1-ethoxydecan-3-yl formate
CID 173324667
1-oxononan-2-yl methanesulfonate
CID 87934201
2-dodecoxy-3-(2-dodecoxy-3-oxopropyl)sulfanylpropanal
CID 88824043
bis[2-(2-ethoxyethoxy)octyl] carbonate
CID 87841193
2-(2-methylpropylamino)oxydecanal
CID 23150466
6-(2-ethoxyethyl)dodecane
CID 130410548
7-(2-ethoxyethyl)tridecane
CID 130410574
1,4-diethoxydecane
CID 140997951
2-dimethylsilyloxyheptanal
CID 173354417

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)octanal?
The IUPAC name of 2-(2-ethoxyethoxy)octanal (CID 22457210) is 2-(2-ethoxyethoxy)octanal.
What is the SMILES notation for 2-(2-ethoxyethoxy)octanal?
The canonical SMILES for 2-(2-ethoxyethoxy)octanal is CCCCCCC(C=O)OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)octanal?
The InChIKey is HLTFODXUKAAWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-5-6-7-8-12(11-13)15-10-9-14-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)octanal?
2-(2-ethoxyethoxy)octanal has a molecular weight of 216.32 g/mol, XLogP of 2.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)octanal is sourced from PubChem (CID 22457210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).