cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene

C20H40 — CID 157067229

IUPACcyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene
SMILESC1=CCCC1.C1CCCC1.CC=C(C)C.CCC(C)C
InChIInChI=1S/C5H10.C5H8.C5H12.C5H10/c2*1-2-4-5-3-1;2*1-4-5(2)3/h1-5H2;1-2H,3-5H2;5H,4H2,1-3H3;4H,1-3H3
InChIKeyACADSMGYXQPMAM-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.70
Rot. Bonds1

About cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene

cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene (PubChem CID 157067229) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene.

Molecular Properties

Compound Namecyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene
PubChem CID157067229
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Namecyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene
SMILESC1=CCCC1.C1CCCC1.CC=C(C)C.CCC(C)C
InChIInChI=1S/C5H10.C5H8.C5H12.C5H10/c2*1-2-4-5-3-1;2*1-4-5(2)3/h1-5H2;1-2H,3-5H2;5H,4H2,1-3H3;4H,1-3H3
InChIKeyACADSMGYXQPMAM-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.70
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-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
cyclohexene;cyclopentane;propane
CID 142184271
carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)
CID 164887045
cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
CID 159907930
N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene
CID 159474446
cyclotetradeca-1,6-diene
CID 90733243
(1E)-cycloicosa-1,6-diene
CID 173214809
cyclopentene;2-methylpent-1-ene
CID 158486939
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
but-2-ene;cyclohexene
CID 157160535
cyclohexane-1,4-diol;2-methylbutane
CID 145319923

Frequently Asked Questions

What is the IUPAC name of cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene?
The IUPAC name of cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene (CID 157067229) is cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene.
What is the SMILES notation for cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene?
The canonical SMILES for cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene is C1=CCCC1.C1CCCC1.CC=C(C)C.CCC(C)C.
What is the InChIKey of cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene?
The InChIKey is ACADSMGYXQPMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C5H8.C5H12.C5H10/c2*1-2-4-5-3-1;2*1-4-5(2)3/h1-5H2;1-2H,3-5H2;5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene?
cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene has a molecular weight of 280.54 g/mol, XLogP of 7.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene is sourced from PubChem (CID 157067229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).