3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene

C22H36 — CID 123330599

IUPAC3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene
SMILESC=CC1C=CC(C2C=C(C(C)CCC)C(CCC)CC2)CC1
InChIInChI=1S/C22H36/c1-5-8-17(4)22-16-21(15-14-20(22)9-6-2)19-12-10-18(7-3)11-13-19/h7,10,12,16-21H,3,5-6,8-9,11,13-15H2,1-2,4H3
InChIKeyZGUXDOGXHUEWKC-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.94
Rot. Bonds7

About 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene

3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene (PubChem CID 123330599) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene.

Molecular Properties

Compound Name3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene
PubChem CID123330599
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene
SMILESC=CC1C=CC(C2C=C(C(C)CCC)C(CCC)CC2)CC1
InChIInChI=1S/C22H36/c1-5-8-17(4)22-16-21(15-14-20(22)9-6-2)19-12-10-18(7-3)11-13-19/h7,10,12,16-21H,3,5-6,8-9,11,13-15H2,1-2,4H3
InChIKeyZGUXDOGXHUEWKC-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.94
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

3-ethenyl-5-propylcyclopentene
CID 146962061
ethane;1-ethenyl-4-pentan-2-ylbenzene
CID 178004325
1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 67853298
1-[(2R)-1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]propan-2-yl]-4-propylbenzene
CID 139753529
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 139753533
(3R,5S)-3,5-bis(ethenyl)cyclopentene
CID 54522339
2-hexan-2-ylbicyclo[2.2.1]hept-2-ene
CID 54571107
1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene
CID 123854341
1-[6-[1-(4-ethylcyclohexyl)ethyl]-4a,5,6,7,8,8a-hexahydronaphthalen-2-yl]prop-2-en-1-one
CID 89276881
5-pentyl-2-[4-[1-(4-propylcyclohexyl)but-3-enyl]phenyl]-1,3-dioxane
CID 19767186
2-methyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 107896549
1-chloro-4-[1-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 19767130

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene?
The IUPAC name of 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene (CID 123330599) is 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene.
What is the SMILES notation for 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene?
The canonical SMILES for 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene is C=CC1C=CC(C2C=C(C(C)CCC)C(CCC)CC2)CC1.
What is the InChIKey of 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene?
The InChIKey is ZGUXDOGXHUEWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-5-8-17(4)22-16-21(15-14-20(22)9-6-2)19-12-10-18(7-3)11-13-19/h7,10,12,16-21H,3,5-6,8-9,11,13-15H2,1-2,4H3.
What are the key properties of 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene?
3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene has a molecular weight of 300.53 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylcyclohex-2-en-1-yl)-1-pentan-2-yl-6-propylcyclohexene is sourced from PubChem (CID 123330599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).