5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene

C15H28O2 — CID 91273723

IUPAC5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene
SMILESC=CCCCOC(C)C(CCC=C)COCC
InChIInChI=1S/C15H28O2/c1-5-8-10-12-17-14(4)15(11-9-6-2)13-16-7-3/h5-6,14-15H,1-2,7-13H2,3-4H3
InChIKeyXFOPTALULCMMDW-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.98
Rot. Bonds12

About 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene

5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene (PubChem CID 91273723) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene.

Molecular Properties

Compound Name5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene
PubChem CID91273723
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene
SMILESC=CCCCOC(C)C(CCC=C)COCC
InChIInChI=1S/C15H28O2/c1-5-8-10-12-17-14(4)15(11-9-6-2)13-16-7-3/h5-6,14-15H,1-2,7-13H2,3-4H3
InChIKeyXFOPTALULCMMDW-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene?
The IUPAC name of 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene (CID 91273723) is 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene.
What is the SMILES notation for 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene?
The canonical SMILES for 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene is C=CCCCOC(C)C(CCC=C)COCC.
What is the InChIKey of 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene?
The InChIKey is XFOPTALULCMMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-8-10-12-17-14(4)15(11-9-6-2)13-16-7-3/h5-6,14-15H,1-2,7-13H2,3-4H3.
What are the key properties of 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene?
5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene has a molecular weight of 240.39 g/mol, XLogP of 3.98, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-6-pent-4-enoxyhept-1-ene is sourced from PubChem (CID 91273723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).