4-ethenoxyheptane

C9H18O — CID 59883029

IUPAC4-ethenoxyheptane
SMILESC=COC(CCC)CCC
InChIInChI=1S/C9H18O/c1-4-7-9(8-5-2)10-6-3/h6,9H,3-5,7-8H2,1-2H3
InChIKeyPXJQOSFBHNEIOV-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds6

About 4-ethenoxyheptane

4-ethenoxyheptane (PubChem CID 59883029) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4-ethenoxyheptane.

Molecular Properties

Compound Name4-ethenoxyheptane
PubChem CID59883029
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4-ethenoxyheptane
SMILESC=COC(CCC)CCC
InChIInChI=1S/C9H18O/c1-4-7-9(8-5-2)10-6-3/h6,9H,3-5,7-8H2,1-2H3
InChIKeyPXJQOSFBHNEIOV-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-ethenoxyheptane?
The IUPAC name of 4-ethenoxyheptane (CID 59883029) is 4-ethenoxyheptane.
What is the SMILES notation for 4-ethenoxyheptane?
The canonical SMILES for 4-ethenoxyheptane is C=COC(CCC)CCC.
What is the InChIKey of 4-ethenoxyheptane?
The InChIKey is PXJQOSFBHNEIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-7-9(8-5-2)10-6-3/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 4-ethenoxyheptane?
4-ethenoxyheptane has a molecular weight of 142.24 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxyheptane is sourced from PubChem (CID 59883029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).