4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane

C15H26O2 — CID 176603426

IUPAC4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane
SMILESCC1COCCC1CCOC=C1CCCCC1
InChIInChI=1S/C15H26O2/c1-13-11-16-9-7-15(13)8-10-17-12-14-5-3-2-4-6-14/h12-13,15H,2-11H2,1H3
InChIKeyLYKNUIIIIMXQPR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.91
Rot. Bonds4

About 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane

4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane (PubChem CID 176603426) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane.

Molecular Properties

Compound Name4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane
PubChem CID176603426
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane
SMILESCC1COCCC1CCOC=C1CCCCC1
InChIInChI=1S/C15H26O2/c1-13-11-16-9-7-15(13)8-10-17-12-14-5-3-2-4-6-14/h12-13,15H,2-11H2,1H3
InChIKeyLYKNUIIIIMXQPR-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
CID 141378568
4-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176602976
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxane
CID 176603231
3-(Cyclohexylidenemethoxymethyl)-3-methyloxane
CID 176603279
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methyloxane
CID 176603816
3-(Cyclohexylidenemethoxymethyl)oxane
CID 176604204
3-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604253
4-(Cyclohexylidenemethoxymethyl)oxane
CID 176604614
3-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176604799
3-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxane
CID 176604926
4-[3-(Cyclohexylidenemethoxy)propyl]oxane
CID 176605226
4-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176605365

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane?
The IUPAC name of 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane (CID 176603426) is 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane.
What is the SMILES notation for 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane?
The canonical SMILES for 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane is CC1COCCC1CCOC=C1CCCCC1.
What is the InChIKey of 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane?
The InChIKey is LYKNUIIIIMXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-13-11-16-9-7-15(13)8-10-17-12-14-5-3-2-4-6-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane?
4-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxane has a molecular weight of 238.37 g/mol, XLogP of 3.91, 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]-3-methyloxane is sourced from PubChem (CID 176603426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).