1-(4-but-1-enylcyclohexyl)-4-methylbenzene

C17H24 — CID 123937808

IUPAC1-(4-but-1-enylcyclohexyl)-4-methylbenzene
SMILESCCC=CC1CCC(c2ccc(C)cc2)CC1
InChIInChI=1S/C17H24/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3
InChIKeyDJFGNNOYSZPBLE-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.24
Rot. Bonds3

About 1-(4-but-1-enylcyclohexyl)-4-methylbenzene

1-(4-but-1-enylcyclohexyl)-4-methylbenzene (PubChem CID 123937808) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(4-but-1-enylcyclohexyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(4-but-1-enylcyclohexyl)-4-methylbenzene
PubChem CID123937808
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-(4-but-1-enylcyclohexyl)-4-methylbenzene
SMILESCCC=CC1CCC(c2ccc(C)cc2)CC1
InChIInChI=1S/C17H24/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3
InChIKeyDJFGNNOYSZPBLE-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 59638896
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
CID 67925507
1-[4-[(E)-but-1-enyl]cyclohexyl]-4-isocyanobenzene
CID 20594569
1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
CID 173280840
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
CID 54500656
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-(pent-2-enoxymethyl)benzene
CID 54028564
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462
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-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
1-[4-[(E)-2-(4-but-3-enylcyclohexyl)ethenyl]cyclohexyl]-4-methylbenzene
CID 163625490

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-1-enylcyclohexyl)-4-methylbenzene?
The IUPAC name of 1-(4-but-1-enylcyclohexyl)-4-methylbenzene (CID 123937808) is 1-(4-but-1-enylcyclohexyl)-4-methylbenzene.
What is the SMILES notation for 1-(4-but-1-enylcyclohexyl)-4-methylbenzene?
The canonical SMILES for 1-(4-but-1-enylcyclohexyl)-4-methylbenzene is CCC=CC1CCC(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(4-but-1-enylcyclohexyl)-4-methylbenzene?
The InChIKey is DJFGNNOYSZPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3.
What are the key properties of 1-(4-but-1-enylcyclohexyl)-4-methylbenzene?
1-(4-but-1-enylcyclohexyl)-4-methylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-1-enylcyclohexyl)-4-methylbenzene is sourced from PubChem (CID 123937808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).