5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran

C12H20O2 — CID 126703828

IUPAC5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran
SMILESCC1=COC(C2CCC(C)OC2)CC1
InChIInChI=1S/C12H20O2/c1-9-3-6-12(14-7-9)11-5-4-10(2)13-8-11/h7,10-12H,3-6,8H2,1-2H3
InChIKeyVVSUMQHYDAKYPC-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.88
Rot. Bonds1

About 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran

5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran (PubChem CID 126703828) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran
PubChem CID126703828
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran
SMILESCC1=COC(C2CCC(C)OC2)CC1
InChIInChI=1S/C12H20O2/c1-9-3-6-12(14-7-9)11-5-4-10(2)13-8-11/h7,10-12H,3-6,8H2,1-2H3
InChIKeyVVSUMQHYDAKYPC-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran (CID 126703828) is 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran is CC1=COC(C2CCC(C)OC2)CC1.
What is the InChIKey of 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran?
The InChIKey is VVSUMQHYDAKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-3-6-12(14-7-9)11-5-4-10(2)13-8-11/h7,10-12H,3-6,8H2,1-2H3.
What are the key properties of 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran?
5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran has a molecular weight of 196.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 126703828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).