4-hexa-1,3-dienylcyclopentene

C11H16 — CID 78200788

IUPAC4-hexa-1,3-dienylcyclopentene
SMILESCCC=CC=CC1CC=CC1
InChIInChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h3-8,11H,2,9-10H2,1H3
InChIKeyPHUGJEBBPPDHCQ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds3

About 4-hexa-1,3-dienylcyclopentene

4-hexa-1,3-dienylcyclopentene (PubChem CID 78200788) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 4-hexa-1,3-dienylcyclopentene.

Molecular Properties

Compound Name4-hexa-1,3-dienylcyclopentene
PubChem CID78200788
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name4-hexa-1,3-dienylcyclopentene
SMILESCCC=CC=CC1CC=CC1
InChIInChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h3-8,11H,2,9-10H2,1H3
InChIKeyPHUGJEBBPPDHCQ-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-but-1-enyl]cyclohexene
CID 21245549
(5E)-octa-3,5-diene
CID 173104147
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
CID 54500656
1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 19967704
1-ethenyl-2-hexa-1,3-dienylcyclopropane
CID 556411
cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde
CID 11804942
2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene
CID 144902393
1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 22915776
4-[(E)-pent-1-enyl]cyclohexene
CID 127260693
4-pent-1-enylcyclohexene
CID 54361712
(3S,5R)-3-ethenyl-5-[(1E,3E)-hexa-1,3-dienyl]-4,5-dihydro-3H-pyrazole
CID 131857748

Frequently Asked Questions

What is the IUPAC name of 4-hexa-1,3-dienylcyclopentene?
The IUPAC name of 4-hexa-1,3-dienylcyclopentene (CID 78200788) is 4-hexa-1,3-dienylcyclopentene.
What is the SMILES notation for 4-hexa-1,3-dienylcyclopentene?
The canonical SMILES for 4-hexa-1,3-dienylcyclopentene is CCC=CC=CC1CC=CC1.
What is the InChIKey of 4-hexa-1,3-dienylcyclopentene?
The InChIKey is PHUGJEBBPPDHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 4-hexa-1,3-dienylcyclopentene?
4-hexa-1,3-dienylcyclopentene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-1,3-dienylcyclopentene is sourced from PubChem (CID 78200788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).