2-[(1,4-dimethylcyclohexyl)methoxy]oxane

C14H26O2 — CID 15471073

IUPAC2-[(1,4-dimethylcyclohexyl)methoxy]oxane
SMILESCC1CCC(C)(COC2CCCCO2)CC1
InChIInChI=1S/C14H26O2/c1-12-6-8-14(2,9-7-12)11-16-13-5-3-4-10-15-13/h12-13H,3-11H2,1-2H3
InChIKeyLEMRJKHDWHAMDO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.75
Rot. Bonds3

About 2-[(1,4-dimethylcyclohexyl)methoxy]oxane

2-[(1,4-dimethylcyclohexyl)methoxy]oxane (PubChem CID 15471073) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(1,4-dimethylcyclohexyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(1,4-dimethylcyclohexyl)methoxy]oxane
PubChem CID15471073
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(1,4-dimethylcyclohexyl)methoxy]oxane
SMILESCC1CCC(C)(COC2CCCCO2)CC1
InChIInChI=1S/C14H26O2/c1-12-6-8-14(2,9-7-12)11-16-13-5-3-4-10-15-13/h12-13H,3-11H2,1-2H3
InChIKeyLEMRJKHDWHAMDO-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane
CID 22336746
2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one
CID 71323020
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 23339569

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylcyclohexyl)methoxy]oxane?
The IUPAC name of 2-[(1,4-dimethylcyclohexyl)methoxy]oxane (CID 15471073) is 2-[(1,4-dimethylcyclohexyl)methoxy]oxane.
What is the SMILES notation for 2-[(1,4-dimethylcyclohexyl)methoxy]oxane?
The canonical SMILES for 2-[(1,4-dimethylcyclohexyl)methoxy]oxane is CC1CCC(C)(COC2CCCCO2)CC1.
What is the InChIKey of 2-[(1,4-dimethylcyclohexyl)methoxy]oxane?
The InChIKey is LEMRJKHDWHAMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12-6-8-14(2,9-7-12)11-16-13-5-3-4-10-15-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-[(1,4-dimethylcyclohexyl)methoxy]oxane?
2-[(1,4-dimethylcyclohexyl)methoxy]oxane has a molecular weight of 226.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylcyclohexyl)methoxy]oxane is sourced from PubChem (CID 15471073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).