1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene

C30H42 — CID 123854341

IUPAC1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene
SMILESCCCC1C=CC(C=CC2CCC(C3C=CC(c4ccc(C)cc4)CC3)CC2)CC1
InChIInChI=1S/C30H42/c1-3-4-24-7-9-25(10-8-24)11-12-26-13-17-28(18-14-26)30-21-19-29(20-22-30)27-15-5-23(2)6-16-27/h5-7,9,11-12,15-16,19,21,24-26,28-30H,3-4,8,10,13-14,17-18,20,22H2,1-2H3
InChIKeyPVUFSZNKAMDNPI-UHFFFAOYSA-N
MW402.67 g/mol
LogP8.79
Rot. Bonds6

About 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene

1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene (PubChem CID 123854341) has the molecular formula C30H42 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene
PubChem CID123854341
Molecular FormulaC30H42
Molecular Weight402.67 g/mol
Exact Mass402.33
IUPAC Name1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene
SMILESCCCC1C=CC(C=CC2CCC(C3C=CC(c4ccc(C)cc4)CC3)CC2)CC1
InChIInChI=1S/C30H42/c1-3-4-24-7-9-25(10-8-24)11-12-26-13-17-28(18-14-26)30-21-19-29(20-22-30)27-15-5-23(2)6-16-27/h5-7,9,11-12,15-16,19,21,24-26,28-30H,3-4,8,10,13-14,17-18,20,22H2,1-2H3
InChIKeyPVUFSZNKAMDNPI-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 58.79
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-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 140619180
1-butyl-4-[4-[(E)-2-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]ethenyl]cyclohexyl]benzene
CID 140619215
1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 140619239
1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123902166
(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
CID 155107146
1-[(E)-4-[4-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]cyclohexyl]but-3-enyl]-4-pentylbenzene;1-[4-[(E)-2-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]ethenyl]cyclohexyl]-4-propylbenzene;2-fluoro-4-pentyl-1-[[4-[4-[(4-propylcyclohex-2-en-1-yl)methoxy]cyclohexyl]cyclohexyl]methoxy]benzene;1-methyl-4-[[4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]cyclohexyl]methoxy]benzene;1-pentyl-4-[[4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]cyclohexyl]methoxy]benzene;1-pentyl-4-[4-[(E)-2-[4-[(E)-2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]ethenyl]cyclohexyl]benzene
CID 162150994
1-[4-[4-[(4-but-3-enylcyclohexyl)oxymethyl]cyclohexyl]cyclohex-2-en-1-yl]-4-methylbenzene
CID 139334513
1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123777474
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 59638896
1-[4-(4-but-3-enylcyclohexyl)cyclohex-2-en-1-yl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[4-[4-(4-butylcyclohexyl)cyclohex-2-en-1-yl]phenyl]-2,3-difluoro-4-methylbenzene;2,3-difluoro-1-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohex-2-en-1-yl]phenyl]benzene);1-(2,3-difluoro-4-methylphenyl)-4-[4-(4-ethenylcyclohexyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohex-2-en-1-yl]phenyl]benzene;2,3-difluoro-1-methyl-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohex-2-en-1-yl]phenyl]benzene;2,3-difluoro-1-[4-[(E)-4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]but-3-enyl]phenyl]-4-propylbenzene;1-ethyl-2,3-difluoro-4-[3-fluoro-4-[[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohex-2-en-1-yl]methoxy]phenyl]benzene
CID 158060791
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-[(E)-2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene
CID 122578160
1-[4-(4-but-3-enylcyclohex-2-en-1-yl)cyclohexyl]-4-methylbenzene;1-but-3-enyl-4-[4-[(E)-2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-[2-[4-(4-ethylcyclohex-2-en-1-yl)cyclohexyl]ethyl]-4-propylbenzene;1-[4-[(E)-2-(4-ethylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]-4-pentylbenzene;1-[4-[(E)-2-(4-ethylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]-4-propylbenzene;2-fluoro-1-pentyl-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]benzene;2-fluoro-4-pentyl-1-[4-[(4-propylcyclohex-2-en-1-yl)methoxy]cyclohexyl]benzene;1-methyl-4-[4-[(4-pentylcyclohex-2-en-1-yl)oxymethyl]cyclohexyl]benzene;1-methyl-4-[2-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]ethyl]benzene;1-pentyl-4-[4-[(E)-2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene
CID 161003057

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene?
The IUPAC name of 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene (CID 123854341) is 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene is CCCC1C=CC(C=CC2CCC(C3C=CC(c4ccc(C)cc4)CC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene?
The InChIKey is PVUFSZNKAMDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42/c1-3-4-24-7-9-25(10-8-24)11-12-26-13-17-28(18-14-26)30-21-19-29(20-22-30)27-15-5-23(2)6-16-27/h5-7,9,11-12,15-16,19,21,24-26,28-30H,3-4,8,10,13-14,17-18,20,22H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene?
1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene has a molecular weight of 402.67 g/mol, XLogP of 8.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene is sourced from PubChem (CID 123854341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).