2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane

C15H28O2 — CID 71100926

IUPAC2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane
SMILESCCC(C1CCCOC1C)C1CCCOC1C
InChIInChI=1S/C15H28O2/c1-4-13(14-7-5-9-16-11(14)2)15-8-6-10-17-12(15)3/h11-15H,4-10H2,1-3H3
InChIKeyZSGRENGPONXJSH-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.64
Rot. Bonds3

About 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane

2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane (PubChem CID 71100926) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane.

Molecular Properties

Compound Name2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane
PubChem CID71100926
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane
SMILESCCC(C1CCCOC1C)C1CCCOC1C
InChIInChI=1S/C15H28O2/c1-4-13(14-7-5-9-16-11(14)2)15-8-6-10-17-12(15)3/h11-15H,4-10H2,1-3H3
InChIKeyZSGRENGPONXJSH-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane?
The IUPAC name of 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane (CID 71100926) is 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane.
What is the SMILES notation for 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane?
The canonical SMILES for 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane is CCC(C1CCCOC1C)C1CCCOC1C.
What is the InChIKey of 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane?
The InChIKey is ZSGRENGPONXJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-13(14-7-5-9-16-11(14)2)15-8-6-10-17-12(15)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane?
2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane has a molecular weight of 240.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane is sourced from PubChem (CID 71100926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).