2-ethylhexoxymethylidenecyclohexane

C15H28O — CID 71421228

IUPAC2-ethylhexoxymethylidenecyclohexane
SMILESCCCCC(CC)COC=C1CCCCC1
InChIInChI=1S/C15H28O/c1-3-5-9-14(4-2)12-16-13-15-10-7-6-8-11-15/h13-14H,3-12H2,1-2H3
InChIKeyQMOYDGUROXXEPX-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.07
Rot. Bonds7

About 2-ethylhexoxymethylidenecyclohexane

2-ethylhexoxymethylidenecyclohexane (PubChem CID 71421228) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-ethylhexoxymethylidenecyclohexane.

Molecular Properties

Compound Name2-ethylhexoxymethylidenecyclohexane
PubChem CID71421228
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-ethylhexoxymethylidenecyclohexane
SMILESCCCCC(CC)COC=C1CCCCC1
InChIInChI=1S/C15H28O/c1-3-5-9-14(4-2)12-16-13-15-10-7-6-8-11-15/h13-14H,3-12H2,1-2H3
InChIKeyQMOYDGUROXXEPX-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxymethylidenecyclohexane?
The IUPAC name of 2-ethylhexoxymethylidenecyclohexane (CID 71421228) is 2-ethylhexoxymethylidenecyclohexane.
What is the SMILES notation for 2-ethylhexoxymethylidenecyclohexane?
The canonical SMILES for 2-ethylhexoxymethylidenecyclohexane is CCCCC(CC)COC=C1CCCCC1.
What is the InChIKey of 2-ethylhexoxymethylidenecyclohexane?
The InChIKey is QMOYDGUROXXEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-9-14(4-2)12-16-13-15-10-7-6-8-11-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-ethylhexoxymethylidenecyclohexane?
2-ethylhexoxymethylidenecyclohexane has a molecular weight of 224.39 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxymethylidenecyclohexane is sourced from PubChem (CID 71421228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).