1,4-bis(ethenyl)-2-heptylcyclopentane

C16H28 — CID 140793772

IUPAC1,4-bis(ethenyl)-2-heptylcyclopentane
SMILESC=CC1CC(C=C)C(CCCCCCC)C1
InChIInChI=1S/C16H28/c1-4-7-8-9-10-11-16-13-14(5-2)12-15(16)6-3/h5-6,14-16H,2-4,7-13H2,1H3
InChIKeyCFLDYNPAAUDADN-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.36
Rot. Bonds8

About 1,4-bis(ethenyl)-2-heptylcyclopentane

1,4-bis(ethenyl)-2-heptylcyclopentane (PubChem CID 140793772) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,4-bis(ethenyl)-2-heptylcyclopentane.

Molecular Properties

Compound Name1,4-bis(ethenyl)-2-heptylcyclopentane
PubChem CID140793772
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,4-bis(ethenyl)-2-heptylcyclopentane
SMILESC=CC1CC(C=C)C(CCCCCCC)C1
InChIInChI=1S/C16H28/c1-4-7-8-9-10-11-16-13-14(5-2)12-15(16)6-3/h5-6,14-16H,2-4,7-13H2,1H3
InChIKeyCFLDYNPAAUDADN-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.36
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

1-ethenyl-2-octylcyclobutane
CID 173458282
1-ethenyl-2-octylcyclobutane;tetradec-1-ene
CID 173458281
3-ethenyl-4-nonyloxolane
CID 23010493
1-decyl-2-hexylcyclopropane;dodec-1-ene;hexadecane
CID 91501691
cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
CID 101227517
1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane
CID 159880976
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1,4-bis(ethenyl)-2-ethylcyclohexane
CID 142317561
1-propyl-2-undecylcyclopropane
CID 123636027
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)-2-heptylcyclopentane?
The IUPAC name of 1,4-bis(ethenyl)-2-heptylcyclopentane (CID 140793772) is 1,4-bis(ethenyl)-2-heptylcyclopentane.
What is the SMILES notation for 1,4-bis(ethenyl)-2-heptylcyclopentane?
The canonical SMILES for 1,4-bis(ethenyl)-2-heptylcyclopentane is C=CC1CC(C=C)C(CCCCCCC)C1.
What is the InChIKey of 1,4-bis(ethenyl)-2-heptylcyclopentane?
The InChIKey is CFLDYNPAAUDADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-4-7-8-9-10-11-16-13-14(5-2)12-15(16)6-3/h5-6,14-16H,2-4,7-13H2,1H3.
What are the key properties of 1,4-bis(ethenyl)-2-heptylcyclopentane?
1,4-bis(ethenyl)-2-heptylcyclopentane has a molecular weight of 220.40 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)-2-heptylcyclopentane is sourced from PubChem (CID 140793772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).