1-tert-butyl-2,4-bis(ethenyl)cyclopentane

C13H22 — CID 58961448

IUPAC1-tert-butyl-2,4-bis(ethenyl)cyclopentane
SMILESC=CC1CC(C=C)C(C(C)(C)C)C1
InChIInChI=1S/C13H22/c1-6-10-8-11(7-2)12(9-10)13(3,4)5/h6-7,10-12H,1-2,8-9H2,3-5H3
InChIKeyROQJVUCZDRQSHY-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.05
Rot. Bonds2

About 1-tert-butyl-2,4-bis(ethenyl)cyclopentane

1-tert-butyl-2,4-bis(ethenyl)cyclopentane (PubChem CID 58961448) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-tert-butyl-2,4-bis(ethenyl)cyclopentane.

Molecular Properties

Compound Name1-tert-butyl-2,4-bis(ethenyl)cyclopentane
PubChem CID58961448
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-tert-butyl-2,4-bis(ethenyl)cyclopentane
SMILESC=CC1CC(C=C)C(C(C)(C)C)C1
InChIInChI=1S/C13H22/c1-6-10-8-11(7-2)12(9-10)13(3,4)5/h6-7,10-12H,1-2,8-9H2,3-5H3
InChIKeyROQJVUCZDRQSHY-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.05
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-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol
CID 102275585
4-ethenyl-1-prop-1-enyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane
CID 122595025
1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane
CID 159880976
2-ethenylcyclopropan-1-ol
CID 54500145
1,4-bis(ethenyl)-2-ethylcyclohexane
CID 142317561
3-tert-butyl-5-ethenylpiperidine
CID 155121651
1,4-bis(ethenyl)-2-heptylcyclopentane
CID 140793772
tert-butyl [3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexyl] carbonate
CID 21185029
2-ethenyl-5-methylcyclohexan-1-ol
CID 58534305
2-tert-butylcyclobutane-1-carbaldehyde
CID 123563535
1-(3,3-dimethylbut-1-enyl)-2-ethenyl-4-methylcyclopentane
CID 123506787
1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium
CID 58114598

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-bis(ethenyl)cyclopentane?
The IUPAC name of 1-tert-butyl-2,4-bis(ethenyl)cyclopentane (CID 58961448) is 1-tert-butyl-2,4-bis(ethenyl)cyclopentane.
What is the SMILES notation for 1-tert-butyl-2,4-bis(ethenyl)cyclopentane?
The canonical SMILES for 1-tert-butyl-2,4-bis(ethenyl)cyclopentane is C=CC1CC(C=C)C(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-2,4-bis(ethenyl)cyclopentane?
The InChIKey is ROQJVUCZDRQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-6-10-8-11(7-2)12(9-10)13(3,4)5/h6-7,10-12H,1-2,8-9H2,3-5H3.
What are the key properties of 1-tert-butyl-2,4-bis(ethenyl)cyclopentane?
1-tert-butyl-2,4-bis(ethenyl)cyclopentane has a molecular weight of 178.32 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-bis(ethenyl)cyclopentane is sourced from PubChem (CID 58961448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).