5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran

C14H24O2 — CID 126703875

IUPAC5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran
SMILESCC1=COC(CCC2CCC(C)CO2)CC1
InChIInChI=1S/C14H24O2/c1-11-3-5-13(15-9-11)7-8-14-6-4-12(2)10-16-14/h9,12-14H,3-8,10H2,1-2H3
InChIKeyNEZLXUNEXUMDTK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.66
Rot. Bonds3

About 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran

5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran (PubChem CID 126703875) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran
PubChem CID126703875
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran
SMILESCC1=COC(CCC2CCC(C)CO2)CC1
InChIInChI=1S/C14H24O2/c1-11-3-5-13(15-9-11)7-8-14-6-4-12(2)10-16-14/h9,12-14H,3-8,10H2,1-2H3
InChIKeyNEZLXUNEXUMDTK-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.66
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]-3,4-dihydro-2H-pyran?
The IUPAC name of 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran (CID 126703875) is 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran is CC1=COC(CCC2CCC(C)CO2)CC1.
What is the InChIKey of 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran?
The InChIKey is NEZLXUNEXUMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-3-5-13(15-9-11)7-8-14-6-4-12(2)10-16-14/h9,12-14H,3-8,10H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran?
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran has a molecular weight of 224.34 g/mol, XLogP of 3.66, 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]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 126703875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).