1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene

C18H26 — CID 141055427

IUPAC1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene
SMILESC#CC(C)(CCC1=CCCC1)CC1=CCCCC1
InChIInChI=1S/C18H26/c1-3-18(2,14-13-16-9-7-8-10-16)15-17-11-5-4-6-12-17/h1,9,11H,4-8,10,12-15H2,2H3
InChIKeyOKZJKZKGCSKQRU-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.41
Rot. Bonds5

About 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene

1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene (PubChem CID 141055427) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene.

Molecular Properties

Compound Name1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene
PubChem CID141055427
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene
SMILESC#CC(C)(CCC1=CCCC1)CC1=CCCCC1
InChIInChI=1S/C18H26/c1-3-18(2,14-13-16-9-7-8-10-16)15-17-11-5-4-6-12-17/h1,9,11H,4-8,10,12-15H2,2H3
InChIKeyOKZJKZKGCSKQRU-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile
CID 130917935
cyclohexen-1-ylmethanol;ethane;prop-1-yne
CID 142193644
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole
CID 174949576
1-butylcyclononene
CID 56981158
2-(cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452
acetonitrile;bis(5-(cyclohexen-1-yl)-2-methylpentan-2-ol);(NE)-N-ethylidenehydroxylamine;methane
CID 172930075
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine
CID 91552603
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
1-(2-methoxyethyl)cyclopentene
CID 23262422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene?
The IUPAC name of 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene (CID 141055427) is 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene.
What is the SMILES notation for 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene?
The canonical SMILES for 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene is C#CC(C)(CCC1=CCCC1)CC1=CCCCC1.
What is the InChIKey of 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene?
The InChIKey is OKZJKZKGCSKQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-3-18(2,14-13-16-9-7-8-10-16)15-17-11-5-4-6-12-17/h1,9,11H,4-8,10,12-15H2,2H3.
What are the key properties of 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene?
1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene has a molecular weight of 242.41 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene is sourced from PubChem (CID 141055427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).