1-[[(Z)-hept-2-enoxy]methoxy]heptane

C15H30O2 — CID 156639865

IUPAC1-[[(Z)-hept-2-enoxy]methoxy]heptane
SMILESCCCC/C=C\COCOCCCCCCC
InChIInChI=1S/C15H30O2/c1-3-5-7-9-11-13-16-15-17-14-12-10-8-6-4-2/h9,11H,3-8,10,12-15H2,1-2H3/b11-9-
InChIKeyXUOFDGWGJWZXMQ-LUAWRHEFSA-N
MW242.40 g/mol
LogP4.69
Rot. Bonds13

About 1-[[(Z)-hept-2-enoxy]methoxy]heptane

1-[[(Z)-hept-2-enoxy]methoxy]heptane (PubChem CID 156639865) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-[[(Z)-hept-2-enoxy]methoxy]heptane.

Molecular Properties

Compound Name1-[[(Z)-hept-2-enoxy]methoxy]heptane
PubChem CID156639865
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-[[(Z)-hept-2-enoxy]methoxy]heptane
SMILESCCCC/C=C\COCOCCCCCCC
InChIInChI=1S/C15H30O2/c1-3-5-7-9-11-13-16-15-17-14-12-10-8-6-4-2/h9,11H,3-8,10,12-15H2,1-2H3/b11-9-
InChIKeyXUOFDGWGJWZXMQ-LUAWRHEFSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-hept-2-enoxy]methoxy]heptane?
The IUPAC name of 1-[[(Z)-hept-2-enoxy]methoxy]heptane (CID 156639865) is 1-[[(Z)-hept-2-enoxy]methoxy]heptane.
What is the SMILES notation for 1-[[(Z)-hept-2-enoxy]methoxy]heptane?
The canonical SMILES for 1-[[(Z)-hept-2-enoxy]methoxy]heptane is CCCC/C=C\COCOCCCCCCC.
What is the InChIKey of 1-[[(Z)-hept-2-enoxy]methoxy]heptane?
The InChIKey is XUOFDGWGJWZXMQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-5-7-9-11-13-16-15-17-14-12-10-8-6-4-2/h9,11H,3-8,10,12-15H2,1-2H3/b11-9-.
What are the key properties of 1-[[(Z)-hept-2-enoxy]methoxy]heptane?
1-[[(Z)-hept-2-enoxy]methoxy]heptane has a molecular weight of 242.40 g/mol, XLogP of 4.69, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-hept-2-enoxy]methoxy]heptane is sourced from PubChem (CID 156639865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).