1,6-diethoxy-2,5-dimethylhexane

C12H26O2 — CID 121007544

IUPAC1,6-diethoxy-2,5-dimethylhexane
SMILESCCOCC(C)CCC(C)COCC
InChIInChI=1S/C12H26O2/c1-5-13-9-11(3)7-8-12(4)10-14-6-2/h11-12H,5-10H2,1-4H3
InChIKeyIRUSOIXTDJYKPP-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.11
Rot. Bonds9

About 1,6-diethoxy-2,5-dimethylhexane

1,6-diethoxy-2,5-dimethylhexane (PubChem CID 121007544) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,6-diethoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name1,6-diethoxy-2,5-dimethylhexane
PubChem CID121007544
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1,6-diethoxy-2,5-dimethylhexane
SMILESCCOCC(C)CCC(C)COCC
InChIInChI=1S/C12H26O2/c1-5-13-9-11(3)7-8-12(4)10-14-6-2/h11-12H,5-10H2,1-4H3
InChIKeyIRUSOIXTDJYKPP-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-diethoxy-2,5-dimethylhexane?
The IUPAC name of 1,6-diethoxy-2,5-dimethylhexane (CID 121007544) is 1,6-diethoxy-2,5-dimethylhexane.
What is the SMILES notation for 1,6-diethoxy-2,5-dimethylhexane?
The canonical SMILES for 1,6-diethoxy-2,5-dimethylhexane is CCOCC(C)CCC(C)COCC.
What is the InChIKey of 1,6-diethoxy-2,5-dimethylhexane?
The InChIKey is IRUSOIXTDJYKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-13-9-11(3)7-8-12(4)10-14-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,6-diethoxy-2,5-dimethylhexane?
1,6-diethoxy-2,5-dimethylhexane has a molecular weight of 202.34 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethoxy-2,5-dimethylhexane is sourced from PubChem (CID 121007544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).