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

C13H20O3 — CID 102647052

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H20O3/c1-15-13(8-4-2-5-9-13)12(14)11-7-3-6-10-16-11/h7H,2-6,8-10H2,1H3
InChIKeyNDABWLJSYMEWPV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.60
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone (PubChem CID 102647052) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone
PubChem CID102647052
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H20O3/c1-15-13(8-4-2-5-9-13)12(14)11-7-3-6-10-16-11/h7H,2-6,8-10H2,1H3
InChIKeyNDABWLJSYMEWPV-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183879
2-Dodecyl-5-(2-methoxyethyl)-2-methylfuran-3(2H)-one
CID 56590259
2-Dodecyl-5-(2-methoxyethyl)-2-methyluran-3-one
CID 162938508
(Cyclohex-1-en-1-yl)(3,4-dihydro-2H-pyran-6-yl)methanone
CID 16115537
1-(2-Acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
CID 118351383
2-Methyl-1-oxaspiro[4.5]dec-2-en-4-one
CID 12671964
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylideneoctan-1-one
CID 25223925
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone
CID 45098701
2-Cyclohexyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 85658429
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
(E)-4-cyclohexyl-3-methoxy-4-oxobut-2-enal
CID 102055870
2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one
CID 134933024

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone (CID 102647052) is 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone is COC1(C(=O)C2=CCCCO2)CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone?
The InChIKey is NDABWLJSYMEWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-15-13(8-4-2-5-9-13)12(14)11-7-3-6-10-16-11/h7H,2-6,8-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone has a molecular weight of 224.30 g/mol, XLogP of 2.60, 3 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-(1-methoxycyclohexyl)methanone is sourced from PubChem (CID 102647052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).