oct-7-enoxymethylcyclohexane

C15H28O — CID 53248071

IUPACoct-7-enoxymethylcyclohexane
SMILESC=CCCCCCCOCC1CCCCC1
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h2,15H,1,3-14H2
InChIKeyXSPFHABEORKOQI-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.72
Rot. Bonds9

About oct-7-enoxymethylcyclohexane

oct-7-enoxymethylcyclohexane (PubChem CID 53248071) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is oct-7-enoxymethylcyclohexane.

Molecular Properties

Compound Nameoct-7-enoxymethylcyclohexane
PubChem CID53248071
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Nameoct-7-enoxymethylcyclohexane
SMILESC=CCCCCCCOCC1CCCCC1
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h2,15H,1,3-14H2
InChIKeyXSPFHABEORKOQI-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.72
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 oct-7-enoxymethylcyclohexane?
The IUPAC name of oct-7-enoxymethylcyclohexane (CID 53248071) is oct-7-enoxymethylcyclohexane.
What is the SMILES notation for oct-7-enoxymethylcyclohexane?
The canonical SMILES for oct-7-enoxymethylcyclohexane is C=CCCCCCCOCC1CCCCC1.
What is the InChIKey of oct-7-enoxymethylcyclohexane?
The InChIKey is XSPFHABEORKOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h2,15H,1,3-14H2.
What are the key properties of oct-7-enoxymethylcyclohexane?
oct-7-enoxymethylcyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enoxymethylcyclohexane is sourced from PubChem (CID 53248071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).