2,7-bis(ethenoxy)-2,7-dimethyloctane

C14H26O2 — CID 126747759

IUPAC2,7-bis(ethenoxy)-2,7-dimethyloctane
SMILESC=COC(C)(C)CCCCC(C)(C)OC=C
InChIInChI=1S/C14H26O2/c1-7-15-13(3,4)11-9-10-12-14(5,6)16-8-2/h7-8H,1-2,9-12H2,3-6H3
InChIKeyXUJMUFZIVXHAIK-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.42
Rot. Bonds9

About 2,7-bis(ethenoxy)-2,7-dimethyloctane

2,7-bis(ethenoxy)-2,7-dimethyloctane (PubChem CID 126747759) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,7-bis(ethenoxy)-2,7-dimethyloctane.

Molecular Properties

Compound Name2,7-bis(ethenoxy)-2,7-dimethyloctane
PubChem CID126747759
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,7-bis(ethenoxy)-2,7-dimethyloctane
SMILESC=COC(C)(C)CCCCC(C)(C)OC=C
InChIInChI=1S/C14H26O2/c1-7-15-13(3,4)11-9-10-12-14(5,6)16-8-2/h7-8H,1-2,9-12H2,3-6H3
InChIKeyXUJMUFZIVXHAIK-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(ethenoxy)-2,7-dimethyloctane?
The IUPAC name of 2,7-bis(ethenoxy)-2,7-dimethyloctane (CID 126747759) is 2,7-bis(ethenoxy)-2,7-dimethyloctane.
What is the SMILES notation for 2,7-bis(ethenoxy)-2,7-dimethyloctane?
The canonical SMILES for 2,7-bis(ethenoxy)-2,7-dimethyloctane is C=COC(C)(C)CCCCC(C)(C)OC=C.
What is the InChIKey of 2,7-bis(ethenoxy)-2,7-dimethyloctane?
The InChIKey is XUJMUFZIVXHAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-15-13(3,4)11-9-10-12-14(5,6)16-8-2/h7-8H,1-2,9-12H2,3-6H3.
What are the key properties of 2,7-bis(ethenoxy)-2,7-dimethyloctane?
2,7-bis(ethenoxy)-2,7-dimethyloctane has a molecular weight of 226.36 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(ethenoxy)-2,7-dimethyloctane is sourced from PubChem (CID 126747759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).