2-methyl-6-(oxetan-3-ylmethyl)oxane

C10H18O2 — CID 146414314

IUPAC2-methyl-6-(oxetan-3-ylmethyl)oxane
SMILESCC1CCCC(CC2COC2)O1
InChIInChI=1S/C10H18O2/c1-8-3-2-4-10(12-8)5-9-6-11-7-9/h8-10H,2-7H2,1H3
InChIKeyMLEDDGIIIXWVOQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-6-(oxetan-3-ylmethyl)oxane

2-methyl-6-(oxetan-3-ylmethyl)oxane (PubChem CID 146414314) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-6-(oxetan-3-ylmethyl)oxane.

Molecular Properties

Compound Name2-methyl-6-(oxetan-3-ylmethyl)oxane
PubChem CID146414314
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-6-(oxetan-3-ylmethyl)oxane
SMILESCC1CCCC(CC2COC2)O1
InChIInChI=1S/C10H18O2/c1-8-3-2-4-10(12-8)5-9-6-11-7-9/h8-10H,2-7H2,1H3
InChIKeyMLEDDGIIIXWVOQ-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxetan-3-ylmethyl)oxane?
The IUPAC name of 2-methyl-6-(oxetan-3-ylmethyl)oxane (CID 146414314) is 2-methyl-6-(oxetan-3-ylmethyl)oxane.
What is the SMILES notation for 2-methyl-6-(oxetan-3-ylmethyl)oxane?
The canonical SMILES for 2-methyl-6-(oxetan-3-ylmethyl)oxane is CC1CCCC(CC2COC2)O1.
What is the InChIKey of 2-methyl-6-(oxetan-3-ylmethyl)oxane?
The InChIKey is MLEDDGIIIXWVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-3-2-4-10(12-8)5-9-6-11-7-9/h8-10H,2-7H2,1H3.
What are the key properties of 2-methyl-6-(oxetan-3-ylmethyl)oxane?
2-methyl-6-(oxetan-3-ylmethyl)oxane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxetan-3-ylmethyl)oxane is sourced from PubChem (CID 146414314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).