[3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene

C22H32 — CID 173380265

IUPAC[3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene
SMILESCCC(=CCc1ccccc1)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C22H32/c1-5-19(13-14-20-11-7-6-8-12-20)15-16-21-18(2)10-9-17-22(21,3)4/h6-8,11-13H,5,9-10,14-17H2,1-4H3
InChIKeyJSAQZUXEKPYCTM-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.87
Rot. Bonds6

About [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene

[3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene (PubChem CID 173380265) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene.

Molecular Properties

Compound Name[3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene
PubChem CID173380265
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name[3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene
SMILESCCC(=CCc1ccccc1)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C22H32/c1-5-19(13-14-20-11-7-6-8-12-20)15-16-21-18(2)10-9-17-22(21,3)4/h6-8,11-13H,5,9-10,14-17H2,1-4H3
InChIKeyJSAQZUXEKPYCTM-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.87
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

2-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enoxy]ethylbenzene
CID 151007531
[(2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]benzene
CID 140698386
(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-en-1-ol
CID 5372328
(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
CID 11042317
1-benzyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine-1,4-diium
CID 6982860
1-phenyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine
CID 1375631
[(3E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,6-dienyl]-ethoxy-dimethylsilane
CID 167424473
(2E,4E,6Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-triene-1,6-diol
CID 10380340
[(2E,6E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]sulfonylbenzene
CID 24813323
benzyl (2S)-2-[(3S,6R)-6-methyl-6-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]dioxan-3-yl]propanoate
CID 15813841
3-(2,2-dimethylpropanoyloxy)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid
CID 67626510
(Z)-N,N,4-trimethyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enamide
CID 10588597

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene?
The IUPAC name of [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene (CID 173380265) is [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene.
What is the SMILES notation for [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene?
The canonical SMILES for [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene is CCC(=CCc1ccccc1)CCC1=C(C)CCCC1(C)C.
What is the InChIKey of [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene?
The InChIKey is JSAQZUXEKPYCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-5-19(13-14-20-11-7-6-8-12-20)15-16-21-18(2)10-9-17-22(21,3)4/h6-8,11-13H,5,9-10,14-17H2,1-4H3.
What are the key properties of [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene?
[3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene has a molecular weight of 296.50 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]benzene is sourced from PubChem (CID 173380265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).