3-(cyclohexylidenemethoxymethyl)-3-ethyloxane

C15H26O2 — CID 176603231

IUPAC3-(cyclohexylidenemethoxymethyl)-3-ethyloxane
SMILESCCC1(COC=C2CCCCC2)CCCOC1
InChIInChI=1S/C15H26O2/c1-2-15(9-6-10-16-12-15)13-17-11-14-7-4-3-5-8-14/h11H,2-10,12-13H2,1H3
InChIKeyDBCBUCVCCVKENO-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds4

About 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane

3-(cyclohexylidenemethoxymethyl)-3-ethyloxane (PubChem CID 176603231) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-ethyloxane
PubChem CID176603231
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-ethyloxane
SMILESCCC1(COC=C2CCCCC2)CCCOC1
InChIInChI=1S/C15H26O2/c1-2-15(9-6-10-16-12-15)13-17-11-14-7-4-3-5-8-14/h11H,2-10,12-13H2,1H3
InChIKeyDBCBUCVCCVKENO-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'}

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Related Compounds

3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
CID 141378568
(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277602
3-(Methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277760
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxolane
CID 176603026
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
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methyloxane
CID 176603816
3-(Cyclohexylidenemethoxymethyl)oxane
CID 176604204
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
4-(Cyclohexylidenemethoxymethyl)-4-ethyloxane
CID 176604688

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane (CID 176603231) is 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane is CCC1(COC=C2CCCCC2)CCCOC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane?
The InChIKey is DBCBUCVCCVKENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-15(9-6-10-16-12-15)13-17-11-14-7-4-3-5-8-14/h11H,2-10,12-13H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane?
3-(cyclohexylidenemethoxymethyl)-3-ethyloxane 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 3-(cyclohexylidenemethoxymethyl)-3-ethyloxane is sourced from PubChem (CID 176603231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).