3-ethoxy-2-methyldodecane

C15H32O — CID 78302637

IUPAC3-ethoxy-2-methyldodecane
SMILESCCCCCCCCCC(OCC)C(C)C
InChIInChI=1S/C15H32O/c1-5-7-8-9-10-11-12-13-15(14(3)4)16-6-2/h14-15H,5-13H2,1-4H3
InChIKeyAPDVJSCLYRGFFF-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.19
Rot. Bonds11

About 3-ethoxy-2-methyldodecane

3-ethoxy-2-methyldodecane (PubChem CID 78302637) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-ethoxy-2-methyldodecane.

Molecular Properties

Compound Name3-ethoxy-2-methyldodecane
PubChem CID78302637
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3-ethoxy-2-methyldodecane
SMILESCCCCCCCCCC(OCC)C(C)C
InChIInChI=1S/C15H32O/c1-5-7-8-9-10-11-12-13-15(14(3)4)16-6-2/h14-15H,5-13H2,1-4H3
InChIKeyAPDVJSCLYRGFFF-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-ethoxy-2-methylheptane
CID 3086090
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
2-(2-methylnonan-3-yloxy)ethanamine
CID 150049308
2-ethoxy-3-methoxynonane
CID 175129428
2-ethoxytridecane
CID 54143367
9-ethoxyoctadecane
CID 87148376
9-(1-ethoxyethoxymethyl)nonadecane
CID 88960911
4-ethoxydodecan-5-ol
CID 116711346
4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
4-ethoxynonane-1,2,3-triol
CID 174961473
3-(1-ethoxyethoxymethyl)henhectane
CID 172814053
2-methyldecan-3-yl hydrogen sulfate
CID 154505461

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methyldodecane?
The IUPAC name of 3-ethoxy-2-methyldodecane (CID 78302637) is 3-ethoxy-2-methyldodecane.
What is the SMILES notation for 3-ethoxy-2-methyldodecane?
The canonical SMILES for 3-ethoxy-2-methyldodecane is CCCCCCCCCC(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-2-methyldodecane?
The InChIKey is APDVJSCLYRGFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-5-7-8-9-10-11-12-13-15(14(3)4)16-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of 3-ethoxy-2-methyldodecane?
3-ethoxy-2-methyldodecane has a molecular weight of 228.42 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methyldodecane is sourced from PubChem (CID 78302637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).