2-(2-ethenyl-1-methylcyclohexyl)oxyoxane

C14H24O2 — CID 23405358

IUPAC2-(2-ethenyl-1-methylcyclohexyl)oxyoxane
SMILESC=CC1CCCCC1(C)OC1CCCCO1
InChIInChI=1S/C14H24O2/c1-3-12-8-4-6-10-14(12,2)16-13-9-5-7-11-15-13/h3,12-13H,1,4-11H2,2H3
InChIKeyGUMFNZACEQSBCI-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane

2-(2-ethenyl-1-methylcyclohexyl)oxyoxane (PubChem CID 23405358) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane.

Molecular Properties

Compound Name2-(2-ethenyl-1-methylcyclohexyl)oxyoxane
PubChem CID23405358
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2-ethenyl-1-methylcyclohexyl)oxyoxane
SMILESC=CC1CCCCC1(C)OC1CCCCO1
InChIInChI=1S/C14H24O2/c1-3-12-8-4-6-10-14(12,2)16-13-9-5-7-11-15-13/h3,12-13H,1,4-11H2,2H3
InChIKeyGUMFNZACEQSBCI-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane?
The IUPAC name of 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane (CID 23405358) is 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane.
What is the SMILES notation for 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane?
The canonical SMILES for 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane is C=CC1CCCCC1(C)OC1CCCCO1.
What is the InChIKey of 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane?
The InChIKey is GUMFNZACEQSBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-12-8-4-6-10-14(12,2)16-13-9-5-7-11-15-13/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane?
2-(2-ethenyl-1-methylcyclohexyl)oxyoxane has a molecular weight of 224.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-1-methylcyclohexyl)oxyoxane is sourced from PubChem (CID 23405358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).