1-hepta-1,6-dien-4-yloxyoctane

C15H28O — CID 58151503

IUPAC1-hepta-1,6-dien-4-yloxyoctane
SMILESC=CCC(CC=C)OCCCCCCCC
InChIInChI=1S/C15H28O/c1-4-7-8-9-10-11-14-16-15(12-5-2)13-6-3/h5-6,15H,2-4,7-14H2,1H3
InChIKeyZWMFAKZNEIUXPI-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.88
Rot. Bonds12

About 1-hepta-1,6-dien-4-yloxyoctane

1-hepta-1,6-dien-4-yloxyoctane (PubChem CID 58151503) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-hepta-1,6-dien-4-yloxyoctane.

Molecular Properties

Compound Name1-hepta-1,6-dien-4-yloxyoctane
PubChem CID58151503
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-hepta-1,6-dien-4-yloxyoctane
SMILESC=CCC(CC=C)OCCCCCCCC
InChIInChI=1S/C15H28O/c1-4-7-8-9-10-11-14-16-15(12-5-2)13-6-3/h5-6,15H,2-4,7-14H2,1H3
InChIKeyZWMFAKZNEIUXPI-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-hepta-1,6-dien-4-yloxyoctane?
The IUPAC name of 1-hepta-1,6-dien-4-yloxyoctane (CID 58151503) is 1-hepta-1,6-dien-4-yloxyoctane.
What is the SMILES notation for 1-hepta-1,6-dien-4-yloxyoctane?
The canonical SMILES for 1-hepta-1,6-dien-4-yloxyoctane is C=CCC(CC=C)OCCCCCCCC.
What is the InChIKey of 1-hepta-1,6-dien-4-yloxyoctane?
The InChIKey is ZWMFAKZNEIUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-7-8-9-10-11-14-16-15(12-5-2)13-6-3/h5-6,15H,2-4,7-14H2,1H3.
What are the key properties of 1-hepta-1,6-dien-4-yloxyoctane?
1-hepta-1,6-dien-4-yloxyoctane has a molecular weight of 224.39 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,6-dien-4-yloxyoctane is sourced from PubChem (CID 58151503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).