1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene

C30H48 — CID 173321829

IUPAC1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene
SMILESCCCCCC1CCC(C2CCC(CCC=Cc3ccc(CCC)cc3)CC2)CC1
InChIInChI=1S/C30H48/c1-3-5-6-10-27-17-21-29(22-18-27)30-23-19-28(20-24-30)12-8-7-11-26-15-13-25(9-4-2)14-16-26/h7,11,13-16,27-30H,3-6,8-10,12,17-24H2,1-2H3
InChIKeyQAMAXFSPPZFFAJ-UHFFFAOYSA-N
MW408.71 g/mol
LogP9.63
Rot. Bonds11

About 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene

1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene (PubChem CID 173321829) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene
PubChem CID173321829
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene
SMILESCCCCCC1CCC(C2CCC(CCC=Cc3ccc(CCC)cc3)CC2)CC1
InChIInChI=1S/C30H48/c1-3-5-6-10-27-17-21-29(22-18-27)30-23-19-28(20-24-30)12-8-7-11-26-15-13-25(9-4-2)14-16-26/h7,11,13-16,27-30H,3-6,8-10,12,17-24H2,1-2H3
InChIKeyQAMAXFSPPZFFAJ-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-butylcyclohexyl)ethyl]-4-[2-[4-[(E)-pent-1-enyl]phenyl]ethynyl]benzene
CID 139788019
(E)-5-[4-[4-[4-(4-butylphenyl)butyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
CID 19612690
1-[6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]-4-propylbenzene
CID 54369370
(2E,4E)-7-[4-[4-[4-(4-butylphenyl)butyl]cyclohexyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613155
1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)but-1-enyl]benzene
CID 67680831
1-[(E)-but-1-enyl]-4-[2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139787862
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
CID 54142256
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
(4-propylphenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate
CID 23335037
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene?
The IUPAC name of 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene (CID 173321829) is 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene?
The canonical SMILES for 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene is CCCCCC1CCC(C2CCC(CCC=Cc3ccc(CCC)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene?
The InChIKey is QAMAXFSPPZFFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48/c1-3-5-6-10-27-17-21-29(22-18-27)30-23-19-28(20-24-30)12-8-7-11-26-15-13-25(9-4-2)14-16-26/h7,11,13-16,27-30H,3-6,8-10,12,17-24H2,1-2H3.
What are the key properties of 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene?
1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene has a molecular weight of 408.71 g/mol, XLogP of 9.63, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene is sourced from PubChem (CID 173321829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).