2-ethoxy-3-methoxynonane

C12H26O2 — CID 175129428

IUPAC2-ethoxy-3-methoxynonane
SMILESCCCCCCC(OC)C(C)OCC
InChIInChI=1S/C12H26O2/c1-5-7-8-9-10-12(13-4)11(3)14-6-2/h11-12H,5-10H2,1-4H3
InChIKeyQPJFOOIQFSPRSW-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds9

About 2-ethoxy-3-methoxynonane

2-ethoxy-3-methoxynonane (PubChem CID 175129428) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-ethoxy-3-methoxynonane.

Molecular Properties

Compound Name2-ethoxy-3-methoxynonane
PubChem CID175129428
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-ethoxy-3-methoxynonane
SMILESCCCCCCC(OC)C(C)OCC
InChIInChI=1S/C12H26O2/c1-5-7-8-9-10-12(13-4)11(3)14-6-2/h11-12H,5-10H2,1-4H3
InChIKeyQPJFOOIQFSPRSW-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-methyldodecane
CID 78302637
2-methoxynonane-1,1-diol
CID 175114695
1-fluoro-3,4-dimethoxypentadecane
CID 174316150
2-ethoxytridecane
CID 54143367
1-(3-propoxyundecan-2-yloxy)dodecane
CID 91553470
1-(2-propoxyundecan-3-yloxy)dodecane
CID 91370183
9-ethoxyoctadecane
CID 87148376
9-(1-ethoxyethoxymethyl)nonadecane
CID 88960911
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide
CID 101454212
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
(3S)-3-ethoxy-2-methylheptane
CID 3086090

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methoxynonane?
The IUPAC name of 2-ethoxy-3-methoxynonane (CID 175129428) is 2-ethoxy-3-methoxynonane.
What is the SMILES notation for 2-ethoxy-3-methoxynonane?
The canonical SMILES for 2-ethoxy-3-methoxynonane is CCCCCCC(OC)C(C)OCC.
What is the InChIKey of 2-ethoxy-3-methoxynonane?
The InChIKey is QPJFOOIQFSPRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-7-8-9-10-12(13-4)11(3)14-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-ethoxy-3-methoxynonane?
2-ethoxy-3-methoxynonane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methoxynonane is sourced from PubChem (CID 175129428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).