4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one

C18H24O — CID 94037557

IUPAC4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one
SMILESCc1ccc([C@H](C)CCCC2=CCC(=O)CC2)cc1
InChIInChI=1S/C18H24O/c1-14-6-10-17(11-7-14)15(2)4-3-5-16-8-12-18(19)13-9-16/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3/t15-/m1/s1
InChIKeyXLIQGOSWLRYSLD-OAHLLOKOSA-N
MW256.39 g/mol
LogP4.95
Rot. Bonds5

About 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one

4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one (PubChem CID 94037557) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one
PubChem CID94037557
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one
SMILESCc1ccc([C@H](C)CCCC2=CCC(=O)CC2)cc1
InChIInChI=1S/C18H24O/c1-14-6-10-17(11-7-14)15(2)4-3-5-16-8-12-18(19)13-9-16/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3/t15-/m1/s1
InChIKeyXLIQGOSWLRYSLD-OAHLLOKOSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one
CID 98164579
4-(2-methylsulfonylethyl)cyclohex-3-en-1-one
CID 83261747
1-methyl-4-[3-(4-methylphenyl)butylsulfanyl]benzene
CID 146617256
1-methyl-4-(5-methyloctan-2-yl)benzene
CID 143286559
2-[4-(4-methylphenyl)pentoxy]oxane
CID 13212687
1-methyl-4-(5-methylundecan-2-yl)benzene
CID 90908464
1-(11-ethyl-6-methylpentadecan-2-yl)-4-methylbenzene
CID 23516703
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
1-butan-2-yl-4-methylbenzene;formaldehyde;heptane
CID 142152659
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
CID 160825618
1-decan-3-yl-4-methylbenzene;formaldehyde;methanol;1-methyl-4-octan-2-ylbenzene;1-methyl-4-undecan-4-ylbenzene
CID 159351496

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one?
The IUPAC name of 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one (CID 94037557) is 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one.
What is the SMILES notation for 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one?
The canonical SMILES for 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one is Cc1ccc([C@H](C)CCCC2=CCC(=O)CC2)cc1.
What is the InChIKey of 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one?
The InChIKey is XLIQGOSWLRYSLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24O/c1-14-6-10-17(11-7-14)15(2)4-3-5-16-8-12-18(19)13-9-16/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one?
4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one has a molecular weight of 256.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one is sourced from PubChem (CID 94037557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).