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

C12H18O3 — CID 102646988

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCCCO1
InChIInChI=1S/C12H18O3/c1-12(7-3-5-9-15-12)11(13)10-6-2-4-8-14-10/h6H,2-5,7-9H2,1H3
InChIKeyVLINXZAAPNXYSB-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.21
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone (PubChem CID 102646988) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
PubChem CID102646988
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCCCO1
InChIInChI=1S/C12H18O3/c1-12(7-3-5-9-15-12)11(13)10-6-2-4-8-14-10/h6H,2-5,7-9H2,1H3
InChIKeyVLINXZAAPNXYSB-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone (CID 102646988) is 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone is CC1(C(=O)C2=CCCCO2)CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone?
The InChIKey is VLINXZAAPNXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(7-3-5-9-15-12)11(13)10-6-2-4-8-14-10/h6H,2-5,7-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone has a molecular weight of 210.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone is sourced from PubChem (CID 102646988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).