4-(cyclohexylidenemethoxymethyl)-4-methyloxane

C14H24O2 — CID 176604962

IUPAC4-(cyclohexylidenemethoxymethyl)-4-methyloxane
SMILESCC1(COC=C2CCCCC2)CCOCC1
InChIInChI=1S/C14H24O2/c1-14(7-9-15-10-8-14)12-16-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeyMHPROKKCXHFJCZ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds3

About 4-(cyclohexylidenemethoxymethyl)-4-methyloxane

4-(cyclohexylidenemethoxymethyl)-4-methyloxane (PubChem CID 176604962) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-(cyclohexylidenemethoxymethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(cyclohexylidenemethoxymethyl)-4-methyloxane
PubChem CID176604962
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-(cyclohexylidenemethoxymethyl)-4-methyloxane
SMILESCC1(COC=C2CCCCC2)CCOCC1
InChIInChI=1S/C14H24O2/c1-14(7-9-15-10-8-14)12-16-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeyMHPROKKCXHFJCZ-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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Related Compounds

4-(Methoxymethyl)-4-prop-1-en-2-yloxane
CID 144557126
(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277602
3-(Methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277760
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176602976
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxane
CID 176603231
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethyloxane
CID 176603273
3-(Cyclohexylidenemethoxymethyl)-3-methyloxane
CID 176603279
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxolane
CID 176603522
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methyloxane
CID 176603816
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylidenemethoxymethyl)-4-methyloxane?
The IUPAC name of 4-(cyclohexylidenemethoxymethyl)-4-methyloxane (CID 176604962) is 4-(cyclohexylidenemethoxymethyl)-4-methyloxane.
What is the SMILES notation for 4-(cyclohexylidenemethoxymethyl)-4-methyloxane?
The canonical SMILES for 4-(cyclohexylidenemethoxymethyl)-4-methyloxane is CC1(COC=C2CCCCC2)CCOCC1.
What is the InChIKey of 4-(cyclohexylidenemethoxymethyl)-4-methyloxane?
The InChIKey is MHPROKKCXHFJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(7-9-15-10-8-14)12-16-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3.
What are the key properties of 4-(cyclohexylidenemethoxymethyl)-4-methyloxane?
4-(cyclohexylidenemethoxymethyl)-4-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 4-(cyclohexylidenemethoxymethyl)-4-methyloxane is sourced from PubChem (CID 176604962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).