2-[2-(4-methylcyclohexyl)ethoxy]oxane

C14H26O2 — CID 21137299

IUPAC2-[2-(4-methylcyclohexyl)ethoxy]oxane
SMILESCC1CCC(CCOC2CCCCO2)CC1
InChIInChI=1S/C14H26O2/c1-12-5-7-13(8-6-12)9-11-16-14-4-2-3-10-15-14/h12-14H,2-11H2,1H3
InChIKeyNHRNWCKGLCRPEI-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.75
Rot. Bonds4

About 2-[2-(4-methylcyclohexyl)ethoxy]oxane

2-[2-(4-methylcyclohexyl)ethoxy]oxane (PubChem CID 21137299) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohexyl)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(4-methylcyclohexyl)ethoxy]oxane
PubChem CID21137299
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[2-(4-methylcyclohexyl)ethoxy]oxane
SMILESCC1CCC(CCOC2CCCCO2)CC1
InChIInChI=1S/C14H26O2/c1-12-5-7-13(8-6-12)9-11-16-14-4-2-3-10-15-14/h12-14H,2-11H2,1H3
InChIKeyNHRNWCKGLCRPEI-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylcyclohexyl)ethoxy]oxane?
The IUPAC name of 2-[2-(4-methylcyclohexyl)ethoxy]oxane (CID 21137299) is 2-[2-(4-methylcyclohexyl)ethoxy]oxane.
What is the SMILES notation for 2-[2-(4-methylcyclohexyl)ethoxy]oxane?
The canonical SMILES for 2-[2-(4-methylcyclohexyl)ethoxy]oxane is CC1CCC(CCOC2CCCCO2)CC1.
What is the InChIKey of 2-[2-(4-methylcyclohexyl)ethoxy]oxane?
The InChIKey is NHRNWCKGLCRPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12-5-7-13(8-6-12)9-11-16-14-4-2-3-10-15-14/h12-14H,2-11H2,1H3.
What are the key properties of 2-[2-(4-methylcyclohexyl)ethoxy]oxane?
2-[2-(4-methylcyclohexyl)ethoxy]oxane has a molecular weight of 226.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylcyclohexyl)ethoxy]oxane is sourced from PubChem (CID 21137299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).