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

C14H22O2 — CID 102646905

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C14H22O2/c1-2-11-6-8-12(9-7-11)14(15)13-5-3-4-10-16-13/h5,11-12H,2-4,6-10H2,1H3
InChIKeyFIGKRJGJUCGHNS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone (PubChem CID 102646905) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone
PubChem CID102646905
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C14H22O2/c1-2-11-6-8-12(9-7-11)14(15)13-5-3-4-10-16-13/h5,11-12H,2-4,6-10H2,1H3
InChIKeyFIGKRJGJUCGHNS-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
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
(6S)-6-hexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 25223926
(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135055622
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
(6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 45098774
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
(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 3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone (CID 102646905) is 3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone?
The InChIKey is FIGKRJGJUCGHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-11-6-8-12(9-7-11)14(15)13-5-3-4-10-16-13/h5,11-12H,2-4,6-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.47, 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-ethylcyclohexyl)methanone is sourced from PubChem (CID 102646905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).