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

C₁₁H₁₈O₂ — CID 141378568

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

3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran (PubChem CID 141378568) has the molecular formula C₁₁H₁₈O₂ and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

• Compound Name: 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
• PubChem CID: 141378568
• Molecular Formula: C₁₁H₁₈O₂
• Molecular Weight: 182.26 g/mol
• Exact Mass: 182.13
• IUPAC Name: 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
• SMILES: CC1(C2CC=COC2)CCOCC1
• InChI: InChI=1S/C11H18O2/c1-11(4-7-12-8-5-11)10-3-2-6-13-9-10/h2,6,10H,3-5,7-9H2,1H3
• InChIKey: QQLDLWRYLPBHQJ-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.26
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran?

The IUPAC name of 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran (CID 141378568) is 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran.

What is the SMILES notation for 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran?

The canonical SMILES for 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran is CC1(C2CC=COC2)CCOCC1.

What is the InChIKey of 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran?

The InChIKey is QQLDLWRYLPBHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(4-7-12-8-5-11)10-3-2-6-13-9-10/h2,6,10H,3-5,7-9H2,1H3.

What are the key properties of 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran?

3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran has a molecular weight of 182.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 141378568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141378568 — identifiers, structure, computed properties (public domain)

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