2,2-diethoxynonane

C13H28O2 — CID 89439020

IUPAC2,2-diethoxynonane
SMILESCCCCCCCC(C)(OCC)OCC
InChIInChI=1S/C13H28O2/c1-5-8-9-10-11-12-13(4,14-6-2)15-7-3/h5-12H2,1-4H3
InChIKeyPAHDMKMIKITJQL-UHFFFAOYSA-N
MW216.36 g/mol
LogP4.14
Rot. Bonds10

About 2,2-diethoxynonane

2,2-diethoxynonane (PubChem CID 89439020) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2,2-diethoxynonane.

Molecular Properties

Compound Name2,2-diethoxynonane
PubChem CID89439020
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2,2-diethoxynonane
SMILESCCCCCCCC(C)(OCC)OCC
InChIInChI=1S/C13H28O2/c1-5-8-9-10-11-12-13(4,14-6-2)15-7-3/h5-12H2,1-4H3
InChIKeyPAHDMKMIKITJQL-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

13,13-diethoxytetradecyl-dimethyl-octadecylazanium chloride
CID 172836062
2,2-dipropoxyoctane
CID 89440090
2-ethoxy-2-methylundecane
CID 150956805
2,2,5,5-tetraethoxyhexane
CID 42611383
ruthenium;1,1,1-triethoxydecane
CID 157324278
2-ethoxytetradecan-2-ol
CID 154401470
3-ethoxy-3-methyldodec-1-ene
CID 160659750
5-ethenyl-5-ethoxytetradecane
CID 172806244
4,4-diethoxytridec-1-ene
CID 150818454
2-ethoxy-2-methylnonanoic acid
CID 78969453
3,3-diethoxyoctane
CID 89440562
4-propyl-4-(triethoxymethyl)dodecane
CID 151365628

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxynonane?
The IUPAC name of 2,2-diethoxynonane (CID 89439020) is 2,2-diethoxynonane.
What is the SMILES notation for 2,2-diethoxynonane?
The canonical SMILES for 2,2-diethoxynonane is CCCCCCCC(C)(OCC)OCC.
What is the InChIKey of 2,2-diethoxynonane?
The InChIKey is PAHDMKMIKITJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-8-9-10-11-12-13(4,14-6-2)15-7-3/h5-12H2,1-4H3.
What are the key properties of 2,2-diethoxynonane?
2,2-diethoxynonane has a molecular weight of 216.36 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxynonane is sourced from PubChem (CID 89439020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).