2,5-bis(ethenoxy)-2,5-dimethylhexane

C12H22O2 — CID 12040126

IUPAC2,5-bis(ethenoxy)-2,5-dimethylhexane
SMILESC=COC(C)(C)CCC(C)(C)OC=C
InChIInChI=1S/C12H22O2/c1-7-13-11(3,4)9-10-12(5,6)14-8-2/h7-8H,1-2,9-10H2,3-6H3
InChIKeyKFJSGJUUBISHBN-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.64
Rot. Bonds7

About 2,5-bis(ethenoxy)-2,5-dimethylhexane

2,5-bis(ethenoxy)-2,5-dimethylhexane (PubChem CID 12040126) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,5-bis(ethenoxy)-2,5-dimethylhexane.

Molecular Properties

Compound Name2,5-bis(ethenoxy)-2,5-dimethylhexane
PubChem CID12040126
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2,5-bis(ethenoxy)-2,5-dimethylhexane
SMILESC=COC(C)(C)CCC(C)(C)OC=C
InChIInChI=1S/C12H22O2/c1-7-13-11(3,4)9-10-12(5,6)14-8-2/h7-8H,1-2,9-10H2,3-6H3
InChIKeyKFJSGJUUBISHBN-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenoxy)-2,5-dimethylhexane?
The IUPAC name of 2,5-bis(ethenoxy)-2,5-dimethylhexane (CID 12040126) is 2,5-bis(ethenoxy)-2,5-dimethylhexane.
What is the SMILES notation for 2,5-bis(ethenoxy)-2,5-dimethylhexane?
The canonical SMILES for 2,5-bis(ethenoxy)-2,5-dimethylhexane is C=COC(C)(C)CCC(C)(C)OC=C.
What is the InChIKey of 2,5-bis(ethenoxy)-2,5-dimethylhexane?
The InChIKey is KFJSGJUUBISHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-7-13-11(3,4)9-10-12(5,6)14-8-2/h7-8H,1-2,9-10H2,3-6H3.
What are the key properties of 2,5-bis(ethenoxy)-2,5-dimethylhexane?
2,5-bis(ethenoxy)-2,5-dimethylhexane has a molecular weight of 198.31 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenoxy)-2,5-dimethylhexane is sourced from PubChem (CID 12040126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).