2-methyl-6-phenylmethoxyoxane

C13H18O2 — CID 85344658

IUPAC2-methyl-6-phenylmethoxyoxane
SMILESCC1CCCC(OCc2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyUUILISOSEZGXQX-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.12
Rot. Bonds3

About 2-methyl-6-phenylmethoxyoxane

2-methyl-6-phenylmethoxyoxane (PubChem CID 85344658) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-6-phenylmethoxyoxane.

Molecular Properties

Compound Name2-methyl-6-phenylmethoxyoxane
PubChem CID85344658
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-6-phenylmethoxyoxane
SMILESCC1CCCC(OCc2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyUUILISOSEZGXQX-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylmethoxyoxane?
The IUPAC name of 2-methyl-6-phenylmethoxyoxane (CID 85344658) is 2-methyl-6-phenylmethoxyoxane.
What is the SMILES notation for 2-methyl-6-phenylmethoxyoxane?
The canonical SMILES for 2-methyl-6-phenylmethoxyoxane is CC1CCCC(OCc2ccccc2)O1.
What is the InChIKey of 2-methyl-6-phenylmethoxyoxane?
The InChIKey is UUILISOSEZGXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3.
What are the key properties of 2-methyl-6-phenylmethoxyoxane?
2-methyl-6-phenylmethoxyoxane has a molecular weight of 206.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylmethoxyoxane is sourced from PubChem (CID 85344658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).