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

C12H18O2 — CID 102646802

IUPACcyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCCC1
InChIInChI=1S/C12H18O2/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h8,10H,1-7,9H2
InChIKeyWOQIGMRLMPAPJK-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds2

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

cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102646802) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102646802
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCCC1
InChIInChI=1S/C12H18O2/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h8,10H,1-7,9H2
InChIKeyWOQIGMRLMPAPJK-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
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
(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
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-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
1-Cyclohexyl-2-ethoxyprop-2-en-1-one
CID 85992169
(E)-4-cyclohexyl-3-methoxy-4-oxobut-2-enal
CID 102055870
2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one
CID 134933024
(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135055538
(6S)-6-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135057062

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102646802) is cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CCCCC1.
What is the InChIKey of cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is WOQIGMRLMPAPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h8,10H,1-7,9H2.
What are the key properties of cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone?
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102646802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).