(3R)-3-ethoxy-2-methyldodecane

C15H32O — CID 3086092

IUPAC(3R)-3-ethoxy-2-methyldodecane
SMILESCCCCCCCCC[C@@H](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/t15-/m1/s1
InChIKeyAPDVJSCLYRGFFF-OAHLLOKOSA-N
MW228.42 g/mol
LogP5.19
Rot. Bonds11

About (3R)-3-ethoxy-2-methyldodecane

(3R)-3-ethoxy-2-methyldodecane (PubChem CID 3086092) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is (3R)-3-ethoxy-2-methyldodecane.

Molecular Properties

Compound Name(3R)-3-ethoxy-2-methyldodecane
PubChem CID3086092
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name(3R)-3-ethoxy-2-methyldodecane
SMILESCCCCCCCCC[C@@H](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/t15-/m1/s1
InChIKeyAPDVJSCLYRGFFF-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethoxy-2-methyldodecane?
The IUPAC name of (3R)-3-ethoxy-2-methyldodecane (CID 3086092) is (3R)-3-ethoxy-2-methyldodecane.
What is the SMILES notation for (3R)-3-ethoxy-2-methyldodecane?
The canonical SMILES for (3R)-3-ethoxy-2-methyldodecane is CCCCCCCCC[C@@H](OCC)C(C)C.
What is the InChIKey of (3R)-3-ethoxy-2-methyldodecane?
The InChIKey is APDVJSCLYRGFFF-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (3R)-3-ethoxy-2-methyldodecane?
(3R)-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 (3R)-3-ethoxy-2-methyldodecane is sourced from PubChem (CID 3086092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).