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

C13H20O2 — CID 102646830

IUPAC3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H20O2/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h7,10-11H,2-6,8-9H2,1H3
InChIKeyCOQGUEUTXJGSLB-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone (PubChem CID 102646830) 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-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone
PubChem CID102646830
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H20O2/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h7,10-11H,2-6,8-9H2,1H3
InChIKeyCOQGUEUTXJGSLB-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183879
1-(2-Acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
CID 118351383
1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
CID 534313
5-Methoxy-2-methyl-3-(9,11,13,15-tetramethylheptadecyl)cyclohexa-2,5-diene-1,4-dione
CID 71434663
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
(4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one
CID 135054654
(4bR,7R,8aR)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one
CID 135055162
(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135055538
3,4-dihydro-2H-pyran-6-yl-[(5R)-5-prop-1-en-2-ylcyclohexen-1-yl]methanone
CID 135078289
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102648613
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102648650

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone (CID 102646830) is 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone?
The InChIKey is COQGUEUTXJGSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h7,10-11H,2-6,8-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.08, 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-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 102646830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).