5-(1-ethoxyethoxy)-2,3-dimethylhexane

C12H26O2 — CID 20695825

IUPAC5-(1-ethoxyethoxy)-2,3-dimethylhexane
SMILESCCOC(C)OC(C)CC(C)C(C)C
InChIInChI=1S/C12H26O2/c1-7-13-12(6)14-11(5)8-10(4)9(2)3/h9-12H,7-8H2,1-6H3
InChIKeyIXYSIDNXEMTQCK-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.46
Rot. Bonds7

About 5-(1-ethoxyethoxy)-2,3-dimethylhexane

5-(1-ethoxyethoxy)-2,3-dimethylhexane (PubChem CID 20695825) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-(1-ethoxyethoxy)-2,3-dimethylhexane.

Molecular Properties

Compound Name5-(1-ethoxyethoxy)-2,3-dimethylhexane
PubChem CID20695825
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name5-(1-ethoxyethoxy)-2,3-dimethylhexane
SMILESCCOC(C)OC(C)CC(C)C(C)C
InChIInChI=1S/C12H26O2/c1-7-13-12(6)14-11(5)8-10(4)9(2)3/h9-12H,7-8H2,1-6H3
InChIKeyIXYSIDNXEMTQCK-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethoxy)-2,3-dimethylhexane?
The IUPAC name of 5-(1-ethoxyethoxy)-2,3-dimethylhexane (CID 20695825) is 5-(1-ethoxyethoxy)-2,3-dimethylhexane.
What is the SMILES notation for 5-(1-ethoxyethoxy)-2,3-dimethylhexane?
The canonical SMILES for 5-(1-ethoxyethoxy)-2,3-dimethylhexane is CCOC(C)OC(C)CC(C)C(C)C.
What is the InChIKey of 5-(1-ethoxyethoxy)-2,3-dimethylhexane?
The InChIKey is IXYSIDNXEMTQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-7-13-12(6)14-11(5)8-10(4)9(2)3/h9-12H,7-8H2,1-6H3.
What are the key properties of 5-(1-ethoxyethoxy)-2,3-dimethylhexane?
5-(1-ethoxyethoxy)-2,3-dimethylhexane has a molecular weight of 202.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethoxy)-2,3-dimethylhexane is sourced from PubChem (CID 20695825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).