4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane

C15H26O2 — CID 176603816

IUPAC4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane
SMILESCC1(CCOC=C2CCCCC2)CCOCC1
InChIInChI=1S/C15H26O2/c1-15(7-10-16-11-8-15)9-12-17-13-14-5-3-2-4-6-14/h13H,2-12H2,1H3
InChIKeyUECIGZFVGCXYJD-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds4

About 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane

4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane (PubChem CID 176603816) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane.

Molecular Properties

Compound Name4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane
PubChem CID176603816
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane
SMILESCC1(CCOC=C2CCCCC2)CCOCC1
InChIInChI=1S/C15H26O2/c1-15(7-10-16-11-8-15)9-12-17-13-14-5-3-2-4-6-14/h13H,2-12H2,1H3
InChIKeyUECIGZFVGCXYJD-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxolane
CID 176603026
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxane
CID 176603231
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxetane
CID 176603255
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethyloxane
CID 176603273
3-(Cyclohexylidenemethoxymethyl)-3-methyloxane
CID 176603279
4-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxane
CID 176603426
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxolane
CID 176603522
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
3-(Cyclohexylidenemethoxymethyl)oxane
CID 176604204
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methyloxane
CID 176604630
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
4-(Cyclohexylidenemethoxymethyl)-4-ethyloxane
CID 176604688

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane?
The IUPAC name of 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane (CID 176603816) is 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane.
What is the SMILES notation for 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane?
The canonical SMILES for 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane is CC1(CCOC=C2CCCCC2)CCOCC1.
What is the InChIKey of 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane?
The InChIKey is UECIGZFVGCXYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(7-10-16-11-8-15)9-12-17-13-14-5-3-2-4-6-14/h13H,2-12H2,1H3.
What are the key properties of 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane?
4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane has a molecular weight of 238.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methyloxane is sourced from PubChem (CID 176603816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).