1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene

C21H30 — CID 54018435

IUPAC1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene
SMILESC=CC=CCCC1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C21H30/c1-3-5-6-7-9-19-12-16-21(17-13-19)20-14-10-18(8-4-2)11-15-20/h3,5-6,10-11,14-15,19,21H,1,4,7-9,12-13,16-17H2,2H3
InChIKeyKXGBGCUQENNADM-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.44
Rot. Bonds7

About 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene

1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene (PubChem CID 54018435) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene.

Molecular Properties

Compound Name1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene
PubChem CID54018435
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene
SMILESC=CC=CCCC1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C21H30/c1-3-5-6-7-9-19-12-16-21(17-13-19)20-14-10-18(8-4-2)11-15-20/h3,5-6,10-11,14-15,19,21H,1,4,7-9,12-13,16-17H2,2H3
InChIKeyKXGBGCUQENNADM-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
(E)-5-[4-[1-[4-(4-propylphenyl)cyclohexyl]ethenyl]cyclohexyl]pent-2-enenitrile
CID 19612897
(2E,4E)-7-[4-(4-butylphenyl)cyclohexyl]hepta-2,4-dienenitrile
CID 19613144
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
(2R,4aR,8aR)-2-but-3-enyl-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809752
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 19798695
5-[4-[[4-(4-propylphenyl)cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54133590
5-[4-(4-heptylphenyl)cyclohexyl]pent-2-enenitrile
CID 54439791
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene?
The IUPAC name of 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene (CID 54018435) is 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene.
What is the SMILES notation for 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene?
The canonical SMILES for 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene is C=CC=CCCC1CCC(c2ccc(CCC)cc2)CC1.
What is the InChIKey of 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene?
The InChIKey is KXGBGCUQENNADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-3-5-6-7-9-19-12-16-21(17-13-19)20-14-10-18(8-4-2)11-15-20/h3,5-6,10-11,14-15,19,21H,1,4,7-9,12-13,16-17H2,2H3.
What are the key properties of 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene?
1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene has a molecular weight of 282.47 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene is sourced from PubChem (CID 54018435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).