1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene

C24H36 — CID 158715373

IUPAC1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(C)cc(CCC)cc1C(C)(C)C
InChIInChI=1S/C24H36/c1-9-10-19-14-18(5)23(22(15-19)24(6,7)8)21-13-17(4)11-12-20(21)16(2)3/h13-15,20-21H,2,9-12H2,1,3-8H3/t20-,21+/m0/s1
InChIKeyKVTATNLSJHCNPM-LEWJYISDSA-N
MW324.55 g/mol
LogP7.26
Rot. Bonds4

About 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene

1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene (PubChem CID 158715373) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene
PubChem CID158715373
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(C)cc(CCC)cc1C(C)(C)C
InChIInChI=1S/C24H36/c1-9-10-19-14-18(5)23(22(15-19)24(6,7)8)21-13-17(4)11-12-20(21)16(2)3/h13-15,20-21H,2,9-12H2,1,3-8H3/t20-,21+/m0/s1
InChIKeyKVTATNLSJHCNPM-LEWJYISDSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(2-methylprop-2-enyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene
CID 155748596
1-methoxy-3-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene
CID 156727307
4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
CID 157196355
5-(3,3-dideuteriopentyl)-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene-1,3-diol
CID 166567777
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-[(6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-4-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 155605936
5-(4-hydroxybutyl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 155321288
4-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
CID 170775324
2-[6-(1,1-dideuterioprop-1-en-2-yl)-3-(trideuteriomethyl)cyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
CID 166012044
5-(2-ethoxyethyl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 127044760
3-tert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenol;3-tert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;1,3-ditert-butyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene;1,3-ditert-butyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 167668778
2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 155318975
5-(2-methylheptan-2-yl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 118642871

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene?
The IUPAC name of 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene (CID 158715373) is 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene.
What is the SMILES notation for 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene?
The canonical SMILES for 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene is C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(C)cc(CCC)cc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene?
The InChIKey is KVTATNLSJHCNPM-LEWJYISDSA-N. The full InChI is InChI=1S/C24H36/c1-9-10-19-14-18(5)23(22(15-19)24(6,7)8)21-13-17(4)11-12-20(21)16(2)3/h13-15,20-21H,2,9-12H2,1,3-8H3/t20-,21+/m0/s1.
What are the key properties of 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene?
1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene has a molecular weight of 324.55 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene is sourced from PubChem (CID 158715373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).