3,5-bis(ethenoxy)-3,5-dimethylheptane

C13H24O2 — CID 126733535

IUPAC3,5-bis(ethenoxy)-3,5-dimethylheptane
SMILESC=COC(C)(CC)CC(C)(CC)OC=C
InChIInChI=1S/C13H24O2/c1-7-12(5,14-9-3)11-13(6,8-2)15-10-4/h9-10H,3-4,7-8,11H2,1-2,5-6H3
InChIKeySLJSUZVWNRNNEG-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.03
Rot. Bonds8

About 3,5-bis(ethenoxy)-3,5-dimethylheptane

3,5-bis(ethenoxy)-3,5-dimethylheptane (PubChem CID 126733535) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3,5-bis(ethenoxy)-3,5-dimethylheptane.

Molecular Properties

Compound Name3,5-bis(ethenoxy)-3,5-dimethylheptane
PubChem CID126733535
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3,5-bis(ethenoxy)-3,5-dimethylheptane
SMILESC=COC(C)(CC)CC(C)(CC)OC=C
InChIInChI=1S/C13H24O2/c1-7-12(5,14-9-3)11-13(6,8-2)15-10-4/h9-10H,3-4,7-8,11H2,1-2,5-6H3
InChIKeySLJSUZVWNRNNEG-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.03
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 3,5-bis(ethenoxy)-3,5-dimethylheptane?
The IUPAC name of 3,5-bis(ethenoxy)-3,5-dimethylheptane (CID 126733535) is 3,5-bis(ethenoxy)-3,5-dimethylheptane.
What is the SMILES notation for 3,5-bis(ethenoxy)-3,5-dimethylheptane?
The canonical SMILES for 3,5-bis(ethenoxy)-3,5-dimethylheptane is C=COC(C)(CC)CC(C)(CC)OC=C.
What is the InChIKey of 3,5-bis(ethenoxy)-3,5-dimethylheptane?
The InChIKey is SLJSUZVWNRNNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-7-12(5,14-9-3)11-13(6,8-2)15-10-4/h9-10H,3-4,7-8,11H2,1-2,5-6H3.
What are the key properties of 3,5-bis(ethenoxy)-3,5-dimethylheptane?
3,5-bis(ethenoxy)-3,5-dimethylheptane has a molecular weight of 212.33 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethenoxy)-3,5-dimethylheptane is sourced from PubChem (CID 126733535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).