3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone

C13H20O2 — CID 106829748

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H20O2/c1-13(8-4-2-5-9-13)12(14)11-7-3-6-10-15-11/h7H,2-6,8-10H2,1H3
InChIKeyWPTTVBXGXOSVAG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone

3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone (PubChem CID 106829748) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
PubChem CID106829748
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H20O2/c1-13(8-4-2-5-9-13)12(14)11-7-3-6-10-15-11/h7H,2-6,8-10H2,1H3
InChIKeyWPTTVBXGXOSVAG-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone (CID 106829748) is 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone is CC1(C(=O)C2=CCCCO2)CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone?
The InChIKey is WPTTVBXGXOSVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(8-4-2-5-9-13)12(14)11-7-3-6-10-15-11/h7H,2-6,8-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).