3-(cyclohexylidenemethoxymethyl)-3-methyloxane

C14H24O2 — CID 176603279

IUPAC3-(cyclohexylidenemethoxymethyl)-3-methyloxane
SMILESCC1(COC=C2CCCCC2)CCCOC1
InChIInChI=1S/C14H24O2/c1-14(8-5-9-15-11-14)12-16-10-13-6-3-2-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyJEQNESOZBJVUCQ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)-3-methyloxane

3-(cyclohexylidenemethoxymethyl)-3-methyloxane (PubChem CID 176603279) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-methyloxane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-methyloxane
PubChem CID176603279
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-methyloxane
SMILESCC1(COC=C2CCCCC2)CCCOC1
InChIInChI=1S/C14H24O2/c1-14(8-5-9-15-11-14)12-16-10-13-6-3-2-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyJEQNESOZBJVUCQ-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(cyclohexylidenemethoxymethyl)-3-methyloxane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methyloxane (CID 176603279) is 3-(cyclohexylidenemethoxymethyl)-3-methyloxane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-methyloxane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-methyloxane is CC1(COC=C2CCCCC2)CCCOC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-methyloxane?
The InChIKey is JEQNESOZBJVUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(8-5-9-15-11-14)12-16-10-13-6-3-2-4-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-methyloxane?
3-(cyclohexylidenemethoxymethyl)-3-methyloxane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)-3-methyloxane is sourced from PubChem (CID 176603279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).