4-hexylcyclopentene

C11H20 — CID 10487053

IUPAC4-hexylcyclopentene
SMILESCCCCCCC1CC=CC1
InChIInChI=1S/C11H20/c1-2-3-4-5-8-11-9-6-7-10-11/h6-7,11H,2-5,8-10H2,1H3
InChIKeyIEGFOCXMAKCYIX-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds5

About 4-hexylcyclopentene

4-hexylcyclopentene (PubChem CID 10487053) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4-hexylcyclopentene.

Molecular Properties

Compound Name4-hexylcyclopentene
PubChem CID10487053
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4-hexylcyclopentene
SMILESCCCCCCC1CC=CC1
InChIInChI=1S/C11H20/c1-2-3-4-5-8-11-9-6-7-10-11/h6-7,11H,2-5,8-10H2,1H3
InChIKeyIEGFOCXMAKCYIX-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-tetradecylcyclohexene
CID 54499913
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
3-decylcyclobutene
CID 174421846
5-decylcyclohex-2-en-1-one
CID 139985452
8-cyclopent-3-en-1-yloctan-3-ol
CID 142087297
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
3,12-dioctyl-1,2-diazacyclododeca-1,5,9-triene
CID 56632915
3,12-di(undecyl)-1,2-diazacyclododeca-1,5,9-triene
CID 57073636

Frequently Asked Questions

What is the IUPAC name of 4-hexylcyclopentene?
The IUPAC name of 4-hexylcyclopentene (CID 10487053) is 4-hexylcyclopentene.
What is the SMILES notation for 4-hexylcyclopentene?
The canonical SMILES for 4-hexylcyclopentene is CCCCCCC1CC=CC1.
What is the InChIKey of 4-hexylcyclopentene?
The InChIKey is IEGFOCXMAKCYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-2-3-4-5-8-11-9-6-7-10-11/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 4-hexylcyclopentene?
4-hexylcyclopentene has a molecular weight of 152.28 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylcyclopentene is sourced from PubChem (CID 10487053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).