5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane

C14H26O2 — CID 123400245

IUPAC5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
SMILESCC1CCC(CCC2CCC(C)CO2)OC1
InChIInChI=1S/C14H26O2/c1-11-3-5-13(15-9-11)7-8-14-6-4-12(2)10-16-14/h11-14H,3-10H2,1-2H3
InChIKeyRFESLXFOLDBAPH-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.40
Rot. Bonds3

About 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane

5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane (PubChem CID 123400245) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane.

Molecular Properties

Compound Name5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
PubChem CID123400245
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
SMILESCC1CCC(CCC2CCC(C)CO2)OC1
InChIInChI=1S/C14H26O2/c1-11-3-5-13(15-9-11)7-8-14-6-4-12(2)10-16-14/h11-14H,3-10H2,1-2H3
InChIKeyRFESLXFOLDBAPH-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane?
The IUPAC name of 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane (CID 123400245) is 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane.
What is the SMILES notation for 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane?
The canonical SMILES for 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane is CC1CCC(CCC2CCC(C)CO2)OC1.
What is the InChIKey of 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane?
The InChIKey is RFESLXFOLDBAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11-3-5-13(15-9-11)7-8-14-6-4-12(2)10-16-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane?
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane has a molecular weight of 226.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane is sourced from PubChem (CID 123400245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).