2,5-bis(ethenoxy)heptane

C11H20O2 — CID 89104177

IUPAC2,5-bis(ethenoxy)heptane
SMILESC=COC(C)CCC(CC)OC=C
InChIInChI=1S/C11H20O2/c1-5-11(13-7-3)9-8-10(4)12-6-2/h6-7,10-11H,2-3,5,8-9H2,1,4H3
InChIKeySNUCKXKMXKBRBY-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.25
Rot. Bonds8

About 2,5-bis(ethenoxy)heptane

2,5-bis(ethenoxy)heptane (PubChem CID 89104177) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,5-bis(ethenoxy)heptane.

Molecular Properties

Compound Name2,5-bis(ethenoxy)heptane
PubChem CID89104177
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,5-bis(ethenoxy)heptane
SMILESC=COC(C)CCC(CC)OC=C
InChIInChI=1S/C11H20O2/c1-5-11(13-7-3)9-8-10(4)12-6-2/h6-7,10-11H,2-3,5,8-9H2,1,4H3
InChIKeySNUCKXKMXKBRBY-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.25
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)heptane?
The IUPAC name of 2,5-bis(ethenoxy)heptane (CID 89104177) is 2,5-bis(ethenoxy)heptane.
What is the SMILES notation for 2,5-bis(ethenoxy)heptane?
The canonical SMILES for 2,5-bis(ethenoxy)heptane is C=COC(C)CCC(CC)OC=C.
What is the InChIKey of 2,5-bis(ethenoxy)heptane?
The InChIKey is SNUCKXKMXKBRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(13-7-3)9-8-10(4)12-6-2/h6-7,10-11H,2-3,5,8-9H2,1,4H3.
What are the key properties of 2,5-bis(ethenoxy)heptane?
2,5-bis(ethenoxy)heptane has a molecular weight of 184.28 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenoxy)heptane is sourced from PubChem (CID 89104177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).