3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran

C20H28O — CID 118583690

IUPAC3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCCC1CC=C(C2CCC(c3ccc(C)cc3)CC2)OC1
InChIInChI=1S/C20H28O/c1-3-16-6-13-20(21-14-16)19-11-9-18(10-12-19)17-7-4-15(2)5-8-17/h4-5,7-8,13,16,18-19H,3,6,9-12,14H2,1-2H3
InChIKeySDKFZZPDIOTCRY-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.60
Rot. Bonds3

About 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran

3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran (PubChem CID 118583690) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran
PubChem CID118583690
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCCC1CC=C(C2CCC(c3ccc(C)cc3)CC2)OC1
InChIInChI=1S/C20H28O/c1-3-16-6-13-20(21-14-16)19-11-9-18(10-12-19)17-7-4-15(2)5-8-17/h4-5,7-8,13,16,18-19H,3,6,9-12,14H2,1-2H3
InChIKeySDKFZZPDIOTCRY-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 139790691
3-propyl-6-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]-3,4-dihydro-2H-pyran
CID 118583702
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
1-(4-but-1-enylcyclohexyl)-4-methylbenzene
CID 123937808
[4-[4-(4-methylphenyl)phenyl]cyclohexyl]methylsilane
CID 123942923
CID 20632431
CID 20632431
4-(4-methylphenyl)oxane
CID 46222621
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran (CID 118583690) is 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran is CCC1CC=C(C2CCC(c3ccc(C)cc3)CC2)OC1.
What is the InChIKey of 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The InChIKey is SDKFZZPDIOTCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-3-16-6-13-20(21-14-16)19-11-9-18(10-12-19)17-7-4-15(2)5-8-17/h4-5,7-8,13,16,18-19H,3,6,9-12,14H2,1-2H3.
What are the key properties of 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran?
3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran has a molecular weight of 284.44 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[4-(4-methylphenyl)cyclohexyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).