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

C15H24O2 — CID 102646909

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C15H24O2/c1-11(2)12-6-8-13(9-7-12)15(16)14-5-3-4-10-17-14/h5,11-13H,3-4,6-10H2,1-2H3
InChIKeyJESPUQZRHWMZCM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.71
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone (PubChem CID 102646909) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone
PubChem CID102646909
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C15H24O2/c1-11(2)12-6-8-13(9-7-12)15(16)14-5-3-4-10-17-14/h5,11-13H,3-4,6-10H2,1-2H3
InChIKeyJESPUQZRHWMZCM-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.71
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
5-Methoxy-2-methyl-3-(9,11,13,15-tetramethylheptadecyl)cyclohexa-2,5-diene-1,4-dione
CID 71434663
6-(Propan-2-yl)-3,4,5,6-tetrahydrocyclopenta[b]pyran-7(2H)-one
CID 71377794
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
(1R,7aS)-1-butyl-3-methoxy-1,4,5,6,7,7a-hexahydroinden-2-one
CID 101779245
(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
(6S)-6-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135057062
(6S)-6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135057144

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone (CID 102646909) is 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone is CC(C)C1CCC(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone?
The InChIKey is JESPUQZRHWMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)12-6-8-13(9-7-12)15(16)14-5-3-4-10-17-14/h5,11-13H,3-4,6-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone has a molecular weight of 236.35 g/mol, XLogP of 3.71, 3 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-(4-propan-2-ylcyclohexyl)methanone is sourced from PubChem (CID 102646909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).