1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene

C18H24 — CID 123827724

IUPAC1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene
SMILESCC1=CCC(C(C)CCc2ccc(C)cc2)C=C1
InChIInChI=1S/C18H24/c1-14-4-9-17(10-5-14)11-8-16(3)18-12-6-15(2)7-13-18/h4-7,9-10,12,16,18H,8,11,13H2,1-3H3
InChIKeyDOQSUQQWWOGZJG-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.09
Rot. Bonds4

About 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene

1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene (PubChem CID 123827724) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene
PubChem CID123827724
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene
SMILESCC1=CCC(C(C)CCc2ccc(C)cc2)C=C1
InChIInChI=1S/C18H24/c1-14-4-9-17(10-5-14)11-8-16(3)18-12-6-15(2)7-13-18/h4-7,9-10,12,16,18H,8,11,13H2,1-3H3
InChIKeyDOQSUQQWWOGZJG-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(3,3-dimethylbutan-2-yl)-2-methylcyclohexa-1,3-diene
CID 157406812
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
2-bromobutane;1-(3-bromobutyl)-4-methylbenzene
CID 160913632
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
2-[[(2S)-4-(4-methylphenyl)butan-2-yl]amino]propane-1,3-diol
CID 97323021
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
[1-cyclopropyl-5-(4-methylphenyl)pentan-3-yl]hydrazine
CID 105315029
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene?
The IUPAC name of 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene (CID 123827724) is 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene.
What is the SMILES notation for 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene?
The canonical SMILES for 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene is CC1=CCC(C(C)CCc2ccc(C)cc2)C=C1.
What is the InChIKey of 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene?
The InChIKey is DOQSUQQWWOGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-14-4-9-17(10-5-14)11-8-16(3)18-12-6-15(2)7-13-18/h4-7,9-10,12,16,18H,8,11,13H2,1-3H3.
What are the key properties of 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene?
1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene has a molecular weight of 240.39 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylcyclohexa-2,4-dien-1-yl)butyl]benzene is sourced from PubChem (CID 123827724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).