ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene

C26H42 — CID 90851884

IUPACethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
SMILESC/C=C/CCC1CCC(c2ccc(C3CCC(C)CC3)cc2)CC1.CC
InChIInChI=1S/C24H36.C2H6/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21;1-2/h3-4,15-22H,5-14H2,1-2H3;1-2H3/b4-3+;
InChIKeyDOCITVOUTKGETO-BJILWQEISA-N
MW354.62 g/mol
LogP8.64
Rot. Bonds5

About ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene

ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene (PubChem CID 90851884) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Nameethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
PubChem CID90851884
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Nameethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
SMILESC/C=C/CCC1CCC(c2ccc(C3CCC(C)CC3)cc2)CC1.CC
InChIInChI=1S/C24H36.C2H6/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21;1-2/h3-4,15-22H,5-14H2,1-2H3;1-2H3/b4-3+;
InChIKeyDOCITVOUTKGETO-BJILWQEISA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.64
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-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909
N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
CID 145235011
methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
CID 158715477
1-chloro-4-[4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]cyclohexyl]benzene
CID 139629318
1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene
CID 54254660
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
2-[4-(4-methylphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869936
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848472
1,2,3-trimethyl-5-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]benzene
CID 54434851

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene?
The IUPAC name of ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene (CID 90851884) is ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene.
What is the SMILES notation for ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene?
The canonical SMILES for ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene is C/C=C/CCC1CCC(c2ccc(C3CCC(C)CC3)cc2)CC1.CC.
What is the InChIKey of ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene?
The InChIKey is DOCITVOUTKGETO-BJILWQEISA-N. The full InChI is InChI=1S/C24H36.C2H6/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21;1-2/h3-4,15-22H,5-14H2,1-2H3;1-2H3/b4-3+;.
What are the key properties of ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene?
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene has a molecular weight of 354.62 g/mol, XLogP of 8.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene is sourced from PubChem (CID 90851884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).